1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride

C18H36ClN3O2 — CID 119738371

IUPAC1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCCCCCN)CC1.Cl
InChIInChI=1S/C18H35N3O2.ClH/c1-3-4-13-20(2)18(23)16-10-14-21(15-11-16)17(22)9-7-5-6-8-12-19;/h16H,3-15,19H2,1-2H3;1H
InChIKeyRPVHDYARDWBFHC-UHFFFAOYSA-N
MW361.96 g/mol
LogP2.81
Rot. Bonds10

About 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride

1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119738371) has the molecular formula C18H36ClN3O2 and a molecular weight of 361.96 g/mol. Its IUPAC name is 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119738371
Molecular FormulaC18H36ClN3O2
Molecular Weight361.96 g/mol
Exact Mass361.25
IUPAC Name1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCCCCCN)CC1.Cl
InChIInChI=1S/C18H35N3O2.ClH/c1-3-4-13-20(2)18(23)16-10-14-21(15-11-16)17(22)9-7-5-6-8-12-19;/h16H,3-15,19H2,1-2H3;1H
InChIKeyRPVHDYARDWBFHC-UHFFFAOYSA-N
XLogP2.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.96
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
1-pentanoyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005874
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119738397
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
7-amino-1-(4-ethylazepan-1-yl)heptan-1-one;hydrochloride
CID 119794873
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119738371) is 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride is CCCCN(C)C(=O)C1CCN(C(=O)CCCCCCN)CC1.Cl.
What is the InChIKey of 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is RPVHDYARDWBFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.ClH/c1-3-4-13-20(2)18(23)16-10-14-21(15-11-16)17(22)9-7-5-6-8-12-19;/h16H,3-15,19H2,1-2H3;1H.
What are the key properties of 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride?
1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119738371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).