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

C41H42N2O2 — CID 155362207

IUPAC4-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
SMILESCC1CCN(c2ccc3cc4c(cc3c2)oc2c4cc(C(C)C)c3c4cc5ccc(N6CCC(C)CC6)cc5cc4oc23)CC1
InChIInChI=1S/C41H42N2O2/c1-24(2)33-23-35-34-19-27-5-7-31(42-13-9-25(3)10-14-42)17-29(27)21-37(34)44-40(35)41-39(33)36-20-28-6-8-32(18-30(28)22-38(36)45-41)43-15-11-26(4)12-16-43/h5-8,17-26H,9-16H2,1-4H3
InChIKeyWMBPKLVCMWZATR-UHFFFAOYSA-N
MW594.80 g/mol
LogP11.39
Rot. Bonds3

About 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

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 (PubChem CID 155362207) has the molecular formula C41H42N2O2 and a molecular weight of 594.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID155362207
Molecular FormulaC41H42N2O2
Molecular Weight594.80 g/mol
Exact Mass594.32
IUPAC Name4-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
SMILESCC1CCN(c2ccc3cc4c(cc3c2)oc2c4cc(C(C)C)c3c4cc5ccc(N6CCC(C)CC6)cc5cc4oc23)CC1
InChIInChI=1S/C41H42N2O2/c1-24(2)33-23-35-34-19-27-5-7-31(42-13-9-25(3)10-14-42)17-29(27)21-37(34)44-40(35)41-39(33)36-20-28-6-8-32(18-30(28)22-38(36)45-41)43-15-11-26(4)12-16-43/h5-8,17-26H,9-16H2,1-4H3
InChIKeyWMBPKLVCMWZATR-UHFFFAOYSA-N
XLogP11.39
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.80
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCN(c2ccc3cc4c(cc3c2)oc2c4cc(C(C)C)c3c4cc5ccc(N6CCC(C)CC6)cc5cc4oc23)CC1.
What is the InChIKey of 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?
The InChIKey is WMBPKLVCMWZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N2O2/c1-24(2)33-23-35-34-19-27-5-7-31(42-13-9-25(3)10-14-42)17-29(27)21-37(34)44-40(35)41-39(33)36-20-28-6-8-32(18-30(28)22-38(36)45-41)43-15-11-26(4)12-16-43/h5-8,17-26H,9-16H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 594.80 g/mol, XLogP of 11.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155362207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).