N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride

C18H36ClN3O2 — CID 119661450

IUPACN-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CCCN(C(=O)C(C)(C)C)C1.Cl
InChIInChI=1S/C18H35N3O2.ClH/c1-13(2)15(19)9-11-20(6)16(22)14-8-7-10-21(12-14)17(23)18(3,4)5;/h13-15H,7-12,19H2,1-6H3;1H
InChIKeyRUCHTNWZPWTCNW-UHFFFAOYSA-N
MW361.96 g/mol
LogP2.52
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119661450) has the molecular formula C18H36ClN3O2 and a molecular weight of 361.96 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119661450
Molecular FormulaC18H36ClN3O2
Molecular Weight361.96 g/mol
Exact Mass361.25
IUPAC NameN-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1CCCN(C(=O)C(C)(C)C)C1.Cl
InChIInChI=1S/C18H35N3O2.ClH/c1-13(2)15(19)9-11-20(6)16(22)14-8-7-10-21(12-14)17(23)18(3,4)5;/h13-15H,7-12,19H2,1-6H3;1H
InChIKeyRUCHTNWZPWTCNW-UHFFFAOYSA-N
XLogP2.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.96
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200
3-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228476
N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119657976
(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
CID 119659230
1-butanoyl-N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 111695757
1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 47998464
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
N-(2-hydroxypropyl)-N-methyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 62334774
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119554864

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119661450) is N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1CCCN(C(=O)C(C)(C)C)C1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is RUCHTNWZPWTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.ClH/c1-13(2)15(19)9-11-20(6)16(22)14-8-7-10-21(12-14)17(23)18(3,4)5;/h13-15H,7-12,19H2,1-6H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119661450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).