N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride

C22H27Cl3N2O — CID 23339055

IUPACN,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC(C)N1CCC(N(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C22H26Cl2N2O.ClH/c1-16(2)25-13-11-21(12-14-25)26(20-9-7-19(24)8-10-20)22(27)15-17-3-5-18(23)6-4-17;/h3-10,16,21H,11-15H2,1-2H3;1H
InChIKeyCANHHVCOIWZQBM-UHFFFAOYSA-N
MW441.83 g/mol
LogP5.86
Rot. Bonds5

About N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride

N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 23339055) has the molecular formula C22H27Cl3N2O and a molecular weight of 441.83 g/mol. Its IUPAC name is N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID23339055
Molecular FormulaC22H27Cl3N2O
Molecular Weight441.83 g/mol
Exact Mass440.12
IUPAC NameN,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC(C)N1CCC(N(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C22H26Cl2N2O.ClH/c1-16(2)25-13-11-21(12-14-25)26(20-9-7-19(24)8-10-20)22(27)15-17-3-5-18(23)6-4-17;/h3-10,16,21H,11-15H2,1-2H3;1H
InChIKeyCANHHVCOIWZQBM-UHFFFAOYSA-N
XLogP5.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.83
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-bis(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 23338995
ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
CID 23339060
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 86736486
N,2-diphenyl-N-(4-propan-2-ylcyclohexyl)acetamide
CID 21025612
N-methyl-2-(4-phenylphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide;hydrochloride
CID 10156170
N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide
CID 47091049
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046952
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride (CID 23339055) is N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride is CC(C)N1CCC(N(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is CANHHVCOIWZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O.ClH/c1-16(2)25-13-11-21(12-14-25)26(20-9-7-19(24)8-10-20)22(27)15-17-3-5-18(23)6-4-17;/h3-10,16,21H,11-15H2,1-2H3;1H.
What are the key properties of N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 441.83 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 23339055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).