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

C23H37ClN2O2 — CID 13061483

IUPACN-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C23H36N2O2.ClH/c1-19(22(26)24(2)21-11-7-4-8-12-21)23(27)14-17-25(18-15-23)16-13-20-9-5-3-6-10-20;/h3,5-6,9-10,19,21,27H,4,7-8,11-18H2,1-2H3;1H
InChIKeySDIHHMRPMGDXFM-UHFFFAOYSA-N
MW409.01 g/mol
LogP3.90
Rot. Bonds6

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

N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride (PubChem CID 13061483) has the molecular formula C23H37ClN2O2 and a molecular weight of 409.01 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride
PubChem CID13061483
Molecular FormulaC23H37ClN2O2
Molecular Weight409.01 g/mol
Exact Mass408.25
IUPAC NameN-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C23H36N2O2.ClH/c1-19(22(26)24(2)21-11-7-4-8-12-21)23(27)14-17-25(18-15-23)16-13-20-9-5-3-6-10-20;/h3,5-6,9-10,19,21,27H,4,7-8,11-18H2,1-2H3;1H
InChIKeySDIHHMRPMGDXFM-UHFFFAOYSA-N
XLogP3.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.01
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pipradimadol
CID 68883
Pipramadol
CID 3047849
US11807646, Example 28
CID 139369775
US11807646, Example 29
CID 139370446
4-Piperidinol, 4-(1-carbamoylpropyl)-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040614
N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061485
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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
(S)-1-(((S)-1-((R)-3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl)methyl)-4-phenylpyrrolidin-2-one
CID 125422667

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride (CID 13061483) is N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride is CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2)CC1.Cl.
What is the InChIKey of N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride?
The InChIKey is SDIHHMRPMGDXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2.ClH/c1-19(22(26)24(2)21-11-7-4-8-12-21)23(27)14-17-25(18-15-23)16-13-20-9-5-3-6-10-20;/h3,5-6,9-10,19,21,27H,4,7-8,11-18H2,1-2H3;1H.
What are the key properties of N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride?
N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride has a molecular weight of 409.01 g/mol, XLogP of 3.90, 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-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 13061483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).