1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one

C21H27N3O — CID 163977971

IUPAC1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one
SMILESCNC1(c2ccccc2)CCN(c2ccn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C21H27N3O/c1-22-21(18-5-3-2-4-6-18)10-13-23(14-11-21)19-9-12-24(20(25)15-19)16-17-7-8-17/h2-6,9,12,15,17,22H,7-8,10-11,13-14,16H2,1H3
InChIKeySVVJXXSWYHCUFT-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.97
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one

1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one (PubChem CID 163977971) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one
PubChem CID163977971
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one
SMILESCNC1(c2ccccc2)CCN(c2ccn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C21H27N3O/c1-22-21(18-5-3-2-4-6-18)10-13-23(14-11-21)19-9-12-24(20(25)15-19)16-17-7-8-17/h2-6,9,12,15,17,22H,7-8,10-11,13-14,16H2,1H3
InChIKeySVVJXXSWYHCUFT-UHFFFAOYSA-N
XLogP2.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-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

Related Compounds

1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one
CID 58554517
3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
CID 118263406
1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
CID 59497091
4-amino-1-(cyclopropylmethyl)pyridin-2-one;hydrochloride
CID 155822557
cyclohexane;N-methyl-1-phenylcyclopropan-1-amine
CID 156796665
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 165142044
1-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)pyridin-2-one
CID 53191827
ethane;N-methyl-4-phenylpiperidin-4-amine
CID 142022030
3-(cyclopropylmethyl)-7-[4-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126897793
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 130200514
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one (CID 163977971) is 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one is CNC1(c2ccccc2)CCN(c2ccn(CC3CC3)c(=O)c2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one?
The InChIKey is SVVJXXSWYHCUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-22-21(18-5-3-2-4-6-18)10-13-23(14-11-21)19-9-12-24(20(25)15-19)16-17-7-8-17/h2-6,9,12,15,17,22H,7-8,10-11,13-14,16H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one?
1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one has a molecular weight of 337.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one is sourced from PubChem (CID 163977971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).