1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C18H28N4O2 — CID 97115498

IUPAC1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1cnn(CCC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C18H28N4O2/c1-15-13-19-21(14-15)12-8-18(24)22-10-3-2-5-16(22)7-11-20-9-4-6-17(20)23/h13-14,16H,2-12H2,1H3/t16-/m0/s1
InChIKeyBWKCMRVYBCHSDK-INIZCTEOSA-N
MW332.45 g/mol
LogP1.98
Rot. Bonds6

About 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 97115498) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID97115498
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1cnn(CCC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C18H28N4O2/c1-15-13-19-21(14-15)12-8-18(24)22-10-3-2-5-16(22)7-11-20-9-4-6-17(20)23/h13-14,16H,2-12H2,1H3/t16-/m0/s1
InChIKeyBWKCMRVYBCHSDK-INIZCTEOSA-N
XLogP1.98
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide
CID 95620266
3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 125174346
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70725098
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
3-(4-chloropyrazol-1-yl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 70735720
1-[2-[1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70777268
5-(dimethylamino)-2-[2-oxo-2-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 97286609
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95316152
1-[2-[2-(4-methylpyrazol-1-yl)ethylamino]ethyl]pyrrolidin-2-one
CID 56780234
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 97115498) is 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1cnn(CCC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is BWKCMRVYBCHSDK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-13-19-21(14-15)12-8-18(24)22-10-3-2-5-16(22)7-11-20-9-4-6-17(20)23/h13-14,16H,2-12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 97115498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).