4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one

C18H27N3O3 — CID 155493512

IUPAC4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)[C@H]3CC[C@@H](N)[C@H](O)C3)CC2)cc1=O
InChIInChI=1S/C18H27N3O3/c1-20-7-4-13(11-17(20)23)12-5-8-21(9-6-12)18(24)14-2-3-15(19)16(22)10-14/h4,7,11-12,14-16,22H,2-3,5-6,8-10,19H2,1H3/t14-,15+,16+/m0/s1
InChIKeyNMJMANWMPFPXGZ-ARFHVFGLSA-N
MW333.43 g/mol
LogP0.58
Rot. Bonds2

About 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 155493512) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID155493512
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)[C@H]3CC[C@@H](N)[C@H](O)C3)CC2)cc1=O
InChIInChI=1S/C18H27N3O3/c1-20-7-4-13(11-17(20)23)12-5-8-21(9-6-12)18(24)14-2-3-15(19)16(22)10-14/h4,7,11-12,14-16,22H,2-3,5-6,8-10,19H2,1H3/t14-,15+,16+/m0/s1
InChIKeyNMJMANWMPFPXGZ-ARFHVFGLSA-N
XLogP0.58
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one 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-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 155493512) is 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(C(=O)[C@H]3CC[C@@H](N)[C@H](O)C3)CC2)cc1=O.
What is the InChIKey of 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is NMJMANWMPFPXGZ-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20-7-4-13(11-17(20)23)12-5-8-21(9-6-12)18(24)14-2-3-15(19)16(22)10-14/h4,7,11-12,14-16,22H,2-3,5-6,8-10,19H2,1H3/t14-,15+,16+/m0/s1.
What are the key properties of 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 155493512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).