1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride

C16H32ClN3O2 — CID 120561073

IUPAC1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)CCC(C)N)C1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-5-10-18-16(21)14-8-7-13(3)19(11-14)15(20)9-6-12(2)17;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H
InChIKeyNHSPTNZXNUNVSJ-UHFFFAOYSA-N
MW333.90 g/mol
LogP2.08
Rot. Bonds7

About 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride

1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120561073) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID120561073
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)CCC(C)N)C1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-5-10-18-16(21)14-8-7-13(3)19(11-14)15(20)9-6-12(2)17;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H
InChIKeyNHSPTNZXNUNVSJ-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

(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
CID 119950444
N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119744465
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119744484
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-6-methyl-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-3-carboxamide
CID 86935196
(3S,6S)-N-butyl-1-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 52509283
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 51093171
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride (CID 120561073) is 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride is CCCCNC(=O)C1CCC(C)N(C(=O)CCC(C)N)C1.Cl.
What is the InChIKey of 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is NHSPTNZXNUNVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-4-5-10-18-16(21)14-8-7-13(3)19(11-14)15(20)9-6-12(2)17;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H.
What are the key properties of 1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride?
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-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-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120561073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).