N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C25H30ClN3O2 — CID 56577127

IUPACN-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1ccc(Cl)cc1N1CCC(CNC(=O)C(c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C25H30ClN3O2/c1-18-10-11-21(26)15-22(18)28-14-12-19(17-28)16-27-25(31)24(20-7-3-2-4-8-20)29-13-6-5-9-23(29)30/h2-4,7-8,10-11,15,19,24H,5-6,9,12-14,16-17H2,1H3,(H,27,31)
InChIKeyCXZMZCVQJBGSMU-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.34
Rot. Bonds6

About N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56577127) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56577127
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC NameN-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1ccc(Cl)cc1N1CCC(CNC(=O)C(c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C25H30ClN3O2/c1-18-10-11-21(26)15-22(18)28-14-12-19(17-28)16-27-25(31)24(20-7-3-2-4-8-20)29-13-6-5-9-23(29)30/h2-4,7-8,10-11,15,19,24H,5-6,9,12-14,16-17H2,1H3,(H,27,31)
InChIKeyCXZMZCVQJBGSMU-UHFFFAOYSA-N
XLogP4.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-[(1-benzylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506504
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506114
4-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000033
1-amino-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 119872997
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
(2S,4S)-N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635256
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505171
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56577127) is N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is Cc1ccc(Cl)cc1N1CCC(CNC(=O)C(c2ccccc2)N2CCCCC2=O)C1.
What is the InChIKey of N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is CXZMZCVQJBGSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-18-10-11-21(26)15-22(18)28-14-12-19(17-28)16-27-25(31)24(20-7-3-2-4-8-20)29-13-6-5-9-23(29)30/h2-4,7-8,10-11,15,19,24H,5-6,9,12-14,16-17H2,1H3,(H,27,31).
What are the key properties of N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 439.99 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56577127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).