1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one

C18H27N3O3 — CID 56889456

IUPAC1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3CCC(O)CC3)CC2)cc1=O
InChIInChI=1S/C18H27N3O3/c1-2-19-8-3-14(13-17(19)23)18(24)21-9-4-15(5-10-21)20-11-6-16(22)7-12-20/h3,8,13,15-16,22H,2,4-7,9-12H2,1H3
InChIKeyHBIUFPCAJRSQPB-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.93
Rot. Bonds3

About 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one

1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 56889456) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID56889456
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3CCC(O)CC3)CC2)cc1=O
InChIInChI=1S/C18H27N3O3/c1-2-19-8-3-14(13-17(19)23)18(24)21-9-4-15(5-10-21)20-11-6-16(22)7-12-20/h3,8,13,15-16,22H,2,4-7,9-12H2,1H3
InChIKeyHBIUFPCAJRSQPB-UHFFFAOYSA-N
XLogP0.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one (CID 56889456) is 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one is CCn1ccc(C(=O)N2CCC(N3CCC(O)CC3)CC2)cc1=O.
What is the InChIKey of 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is HBIUFPCAJRSQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-19-8-3-14(13-17(19)23)18(24)21-9-4-15(5-10-21)20-11-6-16(22)7-12-20/h3,8,13,15-16,22H,2,4-7,9-12H2,1H3.
What are the key properties of 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(4-hydroxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 56889456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).