1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine

C40H40N2O2 — CID 155362567

IUPAC1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N7CC(C)CC(C)C7)ccc6cc5c3cc24)C1
InChIInChI=1S/C40H40N2O2/c1-23-9-24(2)20-41(19-23)31-7-5-27-13-33-35-17-36-34-14-28-6-8-32(42-21-25(3)10-26(4)22-42)12-30(28)16-38(34)44-40(36)18-39(35)43-37(33)15-29(27)11-31/h5-8,11-18,23-26H,9-10,19-22H2,1-4H3
InChIKeyQTZZTSKSLPVBTP-UHFFFAOYSA-N
MW580.77 g/mol
LogP10.76
Rot. Bonds2

About 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine

1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine (PubChem CID 155362567) has the molecular formula C40H40N2O2 and a molecular weight of 580.77 g/mol. Its IUPAC name is 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine
PubChem CID155362567
Molecular FormulaC40H40N2O2
Molecular Weight580.77 g/mol
Exact Mass580.31
IUPAC Name1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N7CC(C)CC(C)C7)ccc6cc5c3cc24)C1
InChIInChI=1S/C40H40N2O2/c1-23-9-24(2)20-41(19-23)31-7-5-27-13-33-35-17-36-34-14-28-6-8-32(42-21-25(3)10-26(4)22-42)12-30(28)16-38(34)44-40(36)18-39(35)43-37(33)15-29(27)11-31/h5-8,11-18,23-26H,9-10,19-22H2,1-4H3
InChIKeyQTZZTSKSLPVBTP-UHFFFAOYSA-N
XLogP10.76
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.77
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine with MolForge

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Related Compounds

1-[23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
CID 155360353
1-[15-dibenzofuran-4-yl-23-(3,5-dimethylpiperidin-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl]-3,5-dimethylpiperidine
CID 155644810
4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl]piperidine
CID 155361416
4-methyl-1-[23-(4-methylpiperidin-1-yl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaen-8-yl]piperidine
CID 155362207
1-(4-tert-butyl-3-methylphenyl)-3,5-dimethylpiperidine
CID 129258259
9-(23-carbazol-9-yl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl)carbazole;9-[23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;2-methyl-1-[23-(2-methylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine;4-methyl-1-[23-(4-methylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine;1-(23-piperidin-1-yl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl)piperidine;4-propan-2-yl-1-[23-(4-propan-2-ylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]piperidine
CID 158286547
1-[2-phenyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine
CID 155363101
5-(3,5-dimethylpiperidin-1-yl)-1H-indole-2-carboxylic acid
CID 83972129
9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 146497288
9-(2-tert-butyl-23-carbazol-9-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole;1-[2-tert-butyl-23-(3,5-dimethylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,5-dimethylpiperidine;9-[2-tert-butyl-23-[3,6-di(propan-2-yl)carbazol-9-yl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-3,6-di(propan-2-yl)carbazole;1-[2-tert-butyl-23-(2-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-2-methylpiperidine;1-[2-tert-butyl-23-(4-methylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-methylpiperidine;4-(2-tert-butyl-23-morpholin-4-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)morpholine;1-(2-tert-butyl-23-piperidin-1-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)piperidine;1-[2-tert-butyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine;3,6-ditert-butyl-9-[2-tert-butyl-23-(3,6-ditert-butylcarbazol-9-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]carbazole
CID 158122040
(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
CID 59545269
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945

Frequently Asked Questions

What is the IUPAC name of 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine (CID 155362567) is 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine is CC1CC(C)CN(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N7CC(C)CC(C)C7)ccc6cc5c3cc24)C1.
What is the InChIKey of 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine?
The InChIKey is QTZZTSKSLPVBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2O2/c1-23-9-24(2)20-41(19-23)31-7-5-27-13-33-35-17-36-34-14-28-6-8-32(42-21-25(3)10-26(4)22-42)12-30(28)16-38(34)44-40(36)18-39(35)43-37(33)15-29(27)11-31/h5-8,11-18,23-26H,9-10,19-22H2,1-4H3.
What are the key properties of 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine?
1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine has a molecular weight of 580.77 g/mol, XLogP of 10.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[23-(3,5-dimethylpiperidin-1-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-9-yl]-3,5-dimethylpiperidine is sourced from PubChem (CID 155362567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).