4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one

C14H25N5O — CID 168656073

IUPAC4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
SMILESCCN1CCC(CCN2CC(CN=[N+]=[N-])CC2=O)CC1
InChIInChI=1S/C14H25N5O/c1-2-18-6-3-12(4-7-18)5-8-19-11-13(9-14(19)20)10-16-17-15/h12-13H,2-11H2,1H3
InChIKeyXDEQDKMUUZJPEO-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.27
Rot. Bonds6

About 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one

4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 168656073) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
PubChem CID168656073
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
SMILESCCN1CCC(CCN2CC(CN=[N+]=[N-])CC2=O)CC1
InChIInChI=1S/C14H25N5O/c1-2-18-6-3-12(4-7-18)5-8-19-11-13(9-14(19)20)10-16-17-15/h12-13H,2-11H2,1H3
InChIKeyXDEQDKMUUZJPEO-UHFFFAOYSA-N
XLogP2.27
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(1-ethylpiperidin-4-yl)ethyl]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

tert-butyl 4-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 168655844
4-(azidomethyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168656232
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655557
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-(azidomethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidin-2-one
CID 168655926
tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
CID 168655854
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
4-(azidomethyl)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-one
CID 168657179

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one (CID 168656073) is 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one is CCN1CCC(CCN2CC(CN=[N+]=[N-])CC2=O)CC1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is XDEQDKMUUZJPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-18-6-3-12(4-7-18)5-8-19-11-13(9-14(19)20)10-16-17-15/h12-13H,2-11H2,1H3.
What are the key properties of 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 279.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168656073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).