4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C18H25N3O2 — CID 119379101

IUPAC4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCCC(N)C3)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-13-4-6-14(7-5-13)10-21-11-15(9-17(21)22)18(23)20-8-2-3-16(19)12-20/h4-7,15-16H,2-3,8-12,19H2,1H3
InChIKeyGXJRDBLGUGEBDJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.29
Rot. Bonds3

About 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 119379101) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID119379101
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCCC(N)C3)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-13-4-6-14(7-5-13)10-21-11-15(9-17(21)22)18(23)20-8-2-3-16(19)12-20/h4-7,15-16H,2-3,8-12,19H2,1H3
InChIKeyGXJRDBLGUGEBDJ-UHFFFAOYSA-N
XLogP1.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
3-[(3S)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124697164
N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 52632842
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 120816164
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 120816163
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119645946
ethyl 1-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 46109609
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
4-(3-aminopiperidine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 119380855

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 119379101) is 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CC(C(=O)N3CCCC(N)C3)CC2=O)cc1.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is GXJRDBLGUGEBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-4-6-14(7-5-13)10-21-11-15(9-17(21)22)18(23)20-8-2-3-16(19)12-20/h4-7,15-16H,2-3,8-12,19H2,1H3.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 119379101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).