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

C24H39ClN2O2 — CID 13061485

IUPACN-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride
SMILESCc1ccc(CCN2CCC(O)(C(C)C(=O)N(C)C3CCCCC3)CC2)cc1.Cl
InChIInChI=1S/C24H38N2O2.ClH/c1-19-9-11-21(12-10-19)13-16-26-17-14-24(28,15-18-26)20(2)23(27)25(3)22-7-5-4-6-8-22;/h9-12,20,22,28H,4-8,13-18H2,1-3H3;1H
InChIKeyDMNPTUUTSBTFGC-UHFFFAOYSA-N
MW423.04 g/mol
LogP4.21
Rot. Bonds6

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

N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride (PubChem CID 13061485) has the molecular formula C24H39ClN2O2 and a molecular weight of 423.04 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride
PubChem CID13061485
Molecular FormulaC24H39ClN2O2
Molecular Weight423.04 g/mol
Exact Mass422.27
IUPAC NameN-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride
SMILESCc1ccc(CCN2CCC(O)(C(C)C(=O)N(C)C3CCCCC3)CC2)cc1.Cl
InChIInChI=1S/C24H38N2O2.ClH/c1-19-9-11-21(12-10-19)13-16-26-17-14-24(28,15-18-26)20(2)23(27)25(3)22-7-5-4-6-8-22;/h9-12,20,22,28H,4-8,13-18H2,1-3H3;1H
InChIKeyDMNPTUUTSBTFGC-UHFFFAOYSA-N
XLogP4.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.04
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pipradimadol
CID 68883
Pipramadol
CID 3047849
4-Piperidinol, 4-(1-carbamoylpropyl)-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040614
N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061483
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 13061493
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N,3-dimethylbutanamide;hydrobromide
CID 13061497
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-cyclohexyl-N-propylpropanamide
CID 13061507
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide;hydrochloride
CID 49860892
2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N,N-dicyclohexylpropanamide;hydrochloride
CID 54583066
(3R*,4S*)-1-[(1-benzyl-4-piperidinyl)acetyl]-3,4-dimethyl-4-piperidinol
CID 72867068
N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
CID 13061515
N-cyclohexyl-2-[1-[2-(2-fluorophenyl)ethyl]-4-hydroxypiperidin-4-yl]-N-methylpropanamide
CID 53692521

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride (CID 13061485) is N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride is Cc1ccc(CCN2CCC(O)(C(C)C(=O)N(C)C3CCCCC3)CC2)cc1.Cl.
What is the InChIKey of N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride?
The InChIKey is DMNPTUUTSBTFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2.ClH/c1-19-9-11-21(12-10-19)13-16-26-17-14-24(28,15-18-26)20(2)23(27)25(3)22-7-5-4-6-8-22;/h9-12,20,22,28H,4-8,13-18H2,1-3H3;1H.
What are the key properties of N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride?
N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride has a molecular weight of 423.04 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 13061485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).