N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119744484

IUPACN-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)C2CCNC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-4-8-18-15(20)14-6-5-12(2)19(11-14)16(21)13-7-9-17-10-13;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyJSBABFLEKCUWAI-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.56
Rot. Bonds5

About N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride

N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119744484) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119744484
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)C2CCNC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-4-8-18-15(20)14-6-5-12(2)19(11-14)16(21)13-7-9-17-10-13;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyJSBABFLEKCUWAI-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)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

(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119744465
(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 94916502
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
CID 120561073
(3S,6R)-N-butyl-6-methyl-1-(2-sulfanylidene-3H-1,3-benzoxazole-6-carbonyl)piperidine-3-carboxamide
CID 99811792
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
1-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 56567002
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 51093171
N-(2-hydroxypentyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119783584
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 119744484) is N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride is CCCCNC(=O)C1CCC(C)N(C(=O)C2CCNC2)C1.Cl.
What is the InChIKey of N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is JSBABFLEKCUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-4-8-18-15(20)14-6-5-12(2)19(11-14)16(21)13-7-9-17-10-13;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119744484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).