4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one

C17H21FN4O — CID 168655659

IUPAC4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C(c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C17H21FN4O/c18-15-7-5-14(6-8-15)17(13-3-1-2-4-13)22-11-12(9-16(22)23)10-20-21-19/h5-8,12-13,17H,1-4,9-11H2
InChIKeyNKUKUJHQSAUZFU-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.22
Rot. Bonds5

About 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one

4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 168655659) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID168655659
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C(c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C17H21FN4O/c18-15-7-5-14(6-8-15)17(13-3-1-2-4-13)22-11-12(9-16(22)23)10-20-21-19/h5-8,12-13,17H,1-4,9-11H2
InChIKeyNKUKUJHQSAUZFU-UHFFFAOYSA-N
XLogP4.22
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-[[1-[cyclopentyl-(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666056
4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168655595
(2R)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
CID 168655742
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
CID 168655684
4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
CID 168655610
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168655566
4-(azidomethyl)-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 168656752
4-(azidomethyl)-1-(4-fluoro-2-iodophenyl)pyrrolidin-2-one
CID 168657948
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168655705
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657581
(2S)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-(4-methylphenyl)propanoic acid
CID 168655640

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one (CID 168655659) is 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(C(c2ccc(F)cc2)C2CCCC2)C1.
What is the InChIKey of 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is NKUKUJHQSAUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-15-7-5-14(6-8-15)17(13-3-1-2-4-13)22-11-12(9-16(22)23)10-20-21-19/h5-8,12-13,17H,1-4,9-11H2.
What are the key properties of 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 316.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168655659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).