1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride

C16H32ClN3O2 — CID 119762881

IUPAC1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCCN(C(=O)C(C)(N)CCC)C1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-6-10-18-14(20)13-8-7-11-19(12-13)15(21)16(3,17)9-5-2;/h13H,4-12,17H2,1-3H3,(H,18,20);1H
InChIKeyILWJTDKVFRQIIA-UHFFFAOYSA-N
MW333.90 g/mol
LogP2.08
Rot. Bonds7

About 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride

1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119762881) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride
PubChem CID119762881
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCCN(C(=O)C(C)(N)CCC)C1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-6-10-18-14(20)13-8-7-11-19(12-13)15(21)16(3,17)9-5-2;/h13H,4-12,17H2,1-3H3,(H,18,20);1H
InChIKeyILWJTDKVFRQIIA-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344181
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975736
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119762851
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride (CID 119762881) is 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride is CCCCNC(=O)C1CCCN(C(=O)C(C)(N)CCC)C1.Cl.
What is the InChIKey of 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ILWJTDKVFRQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-4-6-10-18-14(20)13-8-7-11-19(12-13)15(21)16(3,17)9-5-2;/h13H,4-12,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride?
1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119762881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).