N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119628747

IUPACN-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-17(2,19)12-20-16(23)18(3)10-7-11-21(13-18)15(22)14-8-5-4-6-9-14;/h4-6,8-9H,7,10-13,19H2,1-3H3,(H,20,23);1H
InChIKeyGKJMYKNENJQRNP-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.20
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119628747) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119628747
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-17(2,19)12-20-16(23)18(3)10-7-11-21(13-18)15(22)14-8-5-4-6-9-14;/h4-6,8-9H,7,10-13,19H2,1-3H3,(H,20,23);1H
InChIKeyGKJMYKNENJQRNP-UHFFFAOYSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119548818
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
CID 111539458
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide
CID 119548819
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
(2S)-2-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614834
1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557726
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421
2-[4-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697164
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119628747) is N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride is CC(C)(N)CNC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is GKJMYKNENJQRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-17(2,19)12-20-16(23)18(3)10-7-11-21(13-18)15(22)14-8-5-4-6-9-14;/h4-6,8-9H,7,10-13,19H2,1-3H3,(H,20,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119628747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).