N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride

C21H25Cl2N3O2 — CID 119528013

IUPACN-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H24ClN3O2.ClH/c22-18-10-8-16(9-11-18)21(27)25-12-4-7-17(14-25)20(26)24-13-19(23)15-5-2-1-3-6-15;/h1-3,5-6,8-11,17,19H,4,7,12-14,23H2,(H,24,26);1H
InChIKeySUFRLJLLQOIKGB-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.43
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119528013) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119528013
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC NameN-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H24ClN3O2.ClH/c22-18-10-8-16(9-11-18)21(27)25-12-4-7-17(14-25)20(26)24-13-19(23)15-5-2-1-3-6-15;/h1-3,5-6,8-11,17,19H,4,7,12-14,23H2,(H,24,26);1H
InChIKeySUFRLJLLQOIKGB-UHFFFAOYSA-N
XLogP3.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
N-(2-amino-2-oxo-1-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 51315265
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119528013) is N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride is Cl.NC(CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is SUFRLJLLQOIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.ClH/c22-18-10-8-16(9-11-18)21(27)25-12-4-7-17(14-25)20(26)24-13-19(23)15-5-2-1-3-6-15;/h1-3,5-6,8-11,17,19H,4,7,12-14,23H2,(H,24,26);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 422.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119528013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).