N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride

C16H31ClN2O2 — CID 119343920

IUPACN-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCOC1CC(NC(=O)C2CCCNC2)C1(C)C.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-4-5-9-20-14-10-13(16(14,2)3)18-15(19)12-7-6-8-17-11-12;/h12-14,17H,4-11H2,1-3H3,(H,18,19);1H
InChIKeySSVJQPHPJFGLDI-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.51
Rot. Bonds6

About N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride

N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119343920) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119343920
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC NameN-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCOC1CC(NC(=O)C2CCCNC2)C1(C)C.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-4-5-9-20-14-10-13(16(14,2)3)18-15(19)12-7-6-8-17-11-12;/h12-14,17H,4-11H2,1-3H3,(H,18,19);1H
InChIKeySSVJQPHPJFGLDI-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride 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

(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide
CID 114119104
N-(3-ethoxy-2,2-diethylcyclobutyl)piperidine-3-carboxamide
CID 119344181
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
CID 119819292
N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119818533
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
(2R)-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyrrolidine-2-carboxamide
CID 113264272
N-(2,2-diethyl-3-methoxycyclobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119821955
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride (CID 119343920) is N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride is CCCCOC1CC(NC(=O)C2CCCNC2)C1(C)C.Cl.
What is the InChIKey of N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is SSVJQPHPJFGLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-4-5-9-20-14-10-13(16(14,2)3)18-15(19)12-7-6-8-17-11-12;/h12-14,17H,4-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride?
N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119343920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).