N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

C22H25N3O2 — CID 40952996

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H25N3O2/c26-21-10-5-12-25(21)20-9-4-8-18(14-20)22(27)23-19-11-13-24(16-19)15-17-6-2-1-3-7-17/h1-4,6-9,14,19H,5,10-13,15-16H2,(H,23,27)/t19-/m0/s1
InChIKeyXSHLLSRPYNGAJJ-IBGZPJMESA-N
MW363.46 g/mol
LogP2.82
Rot. Bonds5

About N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 40952996) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID40952996
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H25N3O2/c26-21-10-5-12-25(21)20-9-4-8-18(14-20)22(27)23-19-11-13-24(16-19)15-17-6-2-1-3-7-17/h1-4,6-9,14,19H,5,10-13,15-16H2,(H,23,27)/t19-/m0/s1
InChIKeyXSHLLSRPYNGAJJ-IBGZPJMESA-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-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
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-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
CID 146022903
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42457609
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119456952
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 40952996) is N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is XSHLLSRPYNGAJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-10-5-12-25(21)20-9-4-8-18(14-20)22(27)23-19-11-13-24(16-19)15-17-6-2-1-3-7-17/h1-4,6-9,14,19H,5,10-13,15-16H2,(H,23,27)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(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-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 40952996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).