2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride

C23H36Cl2N2O — CID 13061550

IUPAC2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)C1CCCCC1)C1CCN(CCc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C23H35ClN2O.ClH/c1-18(23(27)25(2)21-9-4-3-5-10-21)19-12-15-26(16-13-19)17-14-20-8-6-7-11-22(20)24;/h6-8,11,18-19,21H,3-5,9-10,12-17H2,1-2H3;1H
InChIKeyFJNNKTXFXYOVTN-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.44
Rot. Bonds6

About 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride

2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride (PubChem CID 13061550) has the molecular formula C23H36Cl2N2O and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride
PubChem CID13061550
Molecular FormulaC23H36Cl2N2O
Molecular Weight427.46 g/mol
Exact Mass426.22
IUPAC Name2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)C1CCCCC1)C1CCN(CCc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C23H35ClN2O.ClH/c1-18(23(27)25(2)21-9-4-3-5-10-21)19-12-15-26(16-13-19)17-14-20-8-6-7-11-22(20)24;/h6-8,11,18-19,21H,3-5,9-10,12-17H2,1-2H3;1H
InChIKeyFJNNKTXFXYOVTN-UHFFFAOYSA-N
XLogP5.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bidisomide
CID 59798
Pipradimadol
CID 68883
Disobutamide
CID 68566
1-[cis-4-(Aminomethyl)-4-(3-Chlorophenyl)cyclohexyl]piperidin-2-One
CID 71184749
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
1-[4-[4-[(2,3-Dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389669
1-[4-[4-[(2,4-Dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389683
1-[4-[4-[(4-Chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389695
1-[4-[4-[(2,5-Dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389698
1-[4-[4-[(3,5-Dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389729
1-[4-[4-[(3-Chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389747

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride (CID 13061550) is 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride is CC(C(=O)N(C)C1CCCCC1)C1CCN(CCc2ccccc2Cl)CC1.Cl.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride?
The InChIKey is FJNNKTXFXYOVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O.ClH/c1-18(23(27)25(2)21-9-4-3-5-10-21)19-12-15-26(16-13-19)17-14-20-8-6-7-11-22(20)24;/h6-8,11,18-19,21H,3-5,9-10,12-17H2,1-2H3;1H.
What are the key properties of 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride?
2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride has a molecular weight of 427.46 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-cyclohexyl-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 13061550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).