1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one

C22H26N4O2 — CID 70761405

IUPAC1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C(c2cccnc2)N2CCCC2)CC1=O
InChIInChI=1S/C22H26N4O2/c1-17-7-2-3-9-19(17)26-14-13-25(16-20(26)27)22(28)21(24-11-4-5-12-24)18-8-6-10-23-15-18/h2-3,6-10,15,21H,4-5,11-14,16H2,1H3
InChIKeyGNVCPHQEFQCURP-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one

1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one (PubChem CID 70761405) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
PubChem CID70761405
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C(c2cccnc2)N2CCCC2)CC1=O
InChIInChI=1S/C22H26N4O2/c1-17-7-2-3-9-19(17)26-14-13-25(16-20(26)27)22(28)21(24-11-4-5-12-24)18-8-6-10-23-15-18/h2-3,6-10,15,21H,4-5,11-14,16H2,1H3
InChIKeyGNVCPHQEFQCURP-UHFFFAOYSA-N
XLogP2.40
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 56890671
(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 97284567
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 118767818
3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97279939
(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932
5-[[1-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138381061
2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
CID 74230397
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one?
The IUPAC name of 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one (CID 70761405) is 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one?
The canonical SMILES for 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)C(c2cccnc2)N2CCCC2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one?
The InChIKey is GNVCPHQEFQCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17-7-2-3-9-19(17)26-14-13-25(16-20(26)27)22(28)21(24-11-4-5-12-24)18-8-6-10-23-15-18/h2-3,6-10,15,21H,4-5,11-14,16H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one?
1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one is sourced from PubChem (CID 70761405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).