N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

C26H34N2O3 — CID 154861617

IUPACN-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CC2CCN(C(=O)NC3CCC(O)(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C26H34N2O3/c1-31-24-9-5-6-21(19-24)18-20-12-16-28(17-13-20)25(29)27-23-10-14-26(30,15-11-23)22-7-3-2-4-8-22/h2-9,19-20,23,30H,10-18H2,1H3,(H,27,29)
InChIKeyIQTHZHLULUTRKB-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.49
Rot. Bonds5

About N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 154861617) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID154861617
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CC2CCN(C(=O)NC3CCC(O)(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C26H34N2O3/c1-31-24-9-5-6-21(19-24)18-20-12-16-28(17-13-20)25(29)27-23-10-14-26(30,15-11-23)22-7-3-2-4-8-22/h2-9,19-20,23,30H,10-18H2,1H3,(H,27,29)
InChIKeyIQTHZHLULUTRKB-UHFFFAOYSA-N
XLogP4.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide
CID 86802047
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
4-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol
CID 15233109
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
1-(4-benzylpiperidin-1-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110416061
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 126808966

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 154861617) is N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1cccc(CC2CCN(C(=O)NC3CCC(O)(c4ccccc4)CC3)CC2)c1.
What is the InChIKey of N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is IQTHZHLULUTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-31-24-9-5-6-21(19-24)18-20-12-16-28(17-13-20)25(29)27-23-10-14-26(30,15-11-23)22-7-3-2-4-8-22/h2-9,19-20,23,30H,10-18H2,1H3,(H,27,29).
What are the key properties of N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154861617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).