3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one

C19H24N4O — CID 91646998

IUPAC3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(NC(c3ccccc3)C3CC3)C2=O)n1
InChIInChI=1S/C19H24N4O/c1-22-13-11-17(21-22)23-12-5-8-16(19(23)24)20-18(15-9-10-15)14-6-3-2-4-7-14/h2-4,6-7,11,13,15-16,18,20H,5,8-10,12H2,1H3
InChIKeyYYOOTZSVSWAKTJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.66
Rot. Bonds5

About 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 91646998) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID91646998
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(NC(c3ccccc3)C3CC3)C2=O)n1
InChIInChI=1S/C19H24N4O/c1-22-13-11-17(21-22)23-12-5-8-16(19(23)24)20-18(15-9-10-15)14-6-3-2-4-7-14/h2-4,6-7,11,13,15-16,18,20H,5,8-10,12H2,1H3
InChIKeyYYOOTZSVSWAKTJ-UHFFFAOYSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-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

3-(1-tert-butylsulfanylpropan-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 84595384
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 102558679
3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 133410505
(3R)-1-(1-methylpyrazol-3-yl)-3-[[(3R,4S)-4-methylthiolan-3-yl]amino]piperidin-2-one
CID 125142737
(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 129446009
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 127365592
2-methyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]prop-2-ene-1-sulfonamide
CID 124621585
5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
CID 97059329
3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97065767
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124885479
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 154861922
2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
CID 122137425

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 91646998) is 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one is Cn1ccc(N2CCCC(NC(c3ccccc3)C3CC3)C2=O)n1.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is YYOOTZSVSWAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-13-11-17(21-22)23-12-5-8-16(19(23)24)20-18(15-9-10-15)14-6-3-2-4-7-14/h2-4,6-7,11,13,15-16,18,20H,5,8-10,12H2,1H3.
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 324.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 91646998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).