1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide

C19H27N3O2 — CID 119461832

IUPAC1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCC3CCCNC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-14-4-6-15(7-5-14)12-22-13-17(9-18(22)23)19(24)21-11-16-3-2-8-20-10-16/h4-7,16-17,20H,2-3,8-13H2,1H3,(H,21,24)
InChIKeyCKXMMDNTOWVYRZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.46
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide

1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 119461832) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID119461832
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCC3CCCNC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-14-4-6-15(7-5-14)12-22-13-17(9-18(22)23)19(24)21-11-16-3-2-8-20-10-16/h4-7,16-17,20H,2-3,8-13H2,1H3,(H,21,24)
InChIKeyCKXMMDNTOWVYRZ-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119535395
1-[(4-methylphenyl)methyl]-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120574389
N-methyl-1-[(4-methylphenyl)methyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119551929
5-[[[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 124697193
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78781061
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16919409
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 120658754
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
1-[(4-methylphenyl)methyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55899972
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29261393
(3R)-1-[(4-methylphenyl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 129397090
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 119461832) is 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)NCC3CCCNC3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is CKXMMDNTOWVYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-4-6-15(7-5-14)12-22-13-17(9-18(22)23)19(24)21-11-16-3-2-8-20-10-16/h4-7,16-17,20H,2-3,8-13H2,1H3,(H,21,24).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119461832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).