1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one

C23H29N3O4 — CID 172659827

IUPAC1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C23H29N3O4/c1-16-8-14-26(17-4-6-18(27)7-5-17)23(29)21(16)22(28)25-12-9-19(10-13-25)30-20-3-2-11-24-15-20/h2-3,8,11,14-15,17-19,27H,4-7,9-10,12-13H2,1H3
InChIKeyAWNGWQIMJTUQCB-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one

1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one (PubChem CID 172659827) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
PubChem CID172659827
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
SMILESCc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C23H29N3O4/c1-16-8-14-26(17-4-6-18(27)7-5-17)23(29)21(16)22(28)25-12-9-19(10-13-25)30-20-3-2-11-24-15-20/h2-3,8,11,14-15,17-19,27H,4-7,9-10,12-13H2,1H3
InChIKeyAWNGWQIMJTUQCB-UHFFFAOYSA-N
XLogP2.71
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one (CID 172659827) is 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one is Cc1ccn(C2CCC(O)CC2)c(=O)c1C(=O)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one?
The InChIKey is AWNGWQIMJTUQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16-8-14-26(17-4-6-18(27)7-5-17)23(29)21(16)22(28)25-12-9-19(10-13-25)30-20-3-2-11-24-15-20/h2-3,8,11,14-15,17-19,27H,4-7,9-10,12-13H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one?
1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one has a molecular weight of 411.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 172659827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).