1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C18H25N3O2 — CID 120554615

IUPAC1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCNCC3C)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-12-3-5-15(6-4-12)21-11-14(9-17(21)22)18(23)20-16-7-8-19-10-13(16)2/h3-6,13-14,16,19H,7-11H2,1-2H3,(H,20,23)
InChIKeySIEJCQBGGGNQTD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.46
Rot. Bonds3

About 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 120554615) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID120554615
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCNCC3C)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-12-3-5-15(6-4-12)21-11-14(9-17(21)22)18(23)20-16-7-8-19-10-13(16)2/h3-6,13-14,16,19H,7-11H2,1-2H3,(H,20,23)
InChIKeySIEJCQBGGGNQTD-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120553985
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120554310
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3S)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811620
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56809033
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811618
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide
CID 166342502
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 120576539
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119450293
N-(2-methylpiperidin-3-yl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120577163

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 120554615) is 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC3CCNCC3C)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SIEJCQBGGGNQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-3-5-15(6-4-12)21-11-14(9-17(21)22)18(23)20-16-7-8-19-10-13(16)2/h3-6,13-14,16,19H,7-11H2,1-2H3,(H,20,23).
What are the key properties of 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120554615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).