1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one

C37H41N5O7 — CID 169241630

IUPAC1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1N1CCC(=O)NC1=O.O=c1[nH]cc(-c2ccc(O)cc2)c2ccncc12
InChIInChI=1S/C23H31N3O5.C14H10N2O2/c1-30-20-8-7-16(15-19(20)26-14-11-21(27)24-23(26)29)22(28)25-12-9-18(10-13-25)31-17-5-3-2-4-6-17;17-10-3-1-9(2-4-10)12-8-16-14(18)13-7-15-6-5-11(12)13/h7-8,15,17-18H,2-6,9-14H2,1H3,(H,24,27,29);1-8,17H,(H,16,18)
InChIKeyJMESMLSMXGCASK-UHFFFAOYSA-N
MW667.76 g/mol
LogP5.39
Rot. Bonds6

About 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one

1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one (PubChem CID 169241630) has the molecular formula C37H41N5O7 and a molecular weight of 667.76 g/mol. Its IUPAC name is 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one
PubChem CID169241630
Molecular FormulaC37H41N5O7
Molecular Weight667.76 g/mol
Exact Mass667.30
IUPAC Name1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1N1CCC(=O)NC1=O.O=c1[nH]cc(-c2ccc(O)cc2)c2ccncc12
InChIInChI=1S/C23H31N3O5.C14H10N2O2/c1-30-20-8-7-16(15-19(20)26-14-11-21(27)24-23(26)29)22(28)25-12-9-18(10-13-25)31-17-5-3-2-4-6-17;17-10-3-1-9(2-4-10)12-8-16-14(18)13-7-15-6-5-11(12)13/h7-8,15,17-18H,2-6,9-14H2,1H3,(H,24,27,29);1-8,17H,(H,16,18)
InChIKeyJMESMLSMXGCASK-UHFFFAOYSA-N
XLogP5.39
TPSA154.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.76
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one (CID 169241630) is 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one is COc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1N1CCC(=O)NC1=O.O=c1[nH]cc(-c2ccc(O)cc2)c2ccncc12.
What is the InChIKey of 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is JMESMLSMXGCASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5.C14H10N2O2/c1-30-20-8-7-16(15-19(20)26-14-11-21(27)24-23(26)29)22(28)25-12-9-18(10-13-25)31-17-5-3-2-4-6-17;17-10-3-1-9(2-4-10)12-8-16-14(18)13-7-15-6-5-11(12)13/h7-8,15,17-18H,2-6,9-14H2,1H3,(H,24,27,29);1-8,17H,(H,16,18).
What are the key properties of 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one?
1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one has a molecular weight of 667.76 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 169241630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).