N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

C22H25N3O2 — CID 17436953

IUPACN-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O2/c26-21-7-4-13-25(21)20-10-8-18(9-11-20)22(27)23-19-12-14-24(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-16H2,(H,23,27)
InChIKeySEQPYYBPTOYLSK-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.82
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 17436953) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID17436953
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O2/c26-21-7-4-13-25(21)20-10-8-18(9-11-20)22(27)23-19-12-14-24(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-16H2,(H,23,27)
InChIKeySEQPYYBPTOYLSK-UHFFFAOYSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9041718
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 17436953) is N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SEQPYYBPTOYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-7-4-13-25(21)20-10-8-18(9-11-20)22(27)23-19-12-14-24(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19H,4,7,12-16H2,(H,23,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 17436953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).