2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide

C27H36N2O3 — CID 92595353

IUPAC2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(CN3CCC(NC(=O)Cc4ccccc4O)CC3)CCCCC2)cc1
InChIInChI=1S/C27H36N2O3/c1-32-24-11-9-22(10-12-24)27(15-5-2-6-16-27)20-29-17-13-23(14-18-29)28-26(31)19-21-7-3-4-8-25(21)30/h3-4,7-12,23,30H,2,5-6,13-20H2,1H3,(H,28,31)
InChIKeyONABRFQWPXBYBD-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.43
Rot. Bonds7

About 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide

2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide (PubChem CID 92595353) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
PubChem CID92595353
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(CN3CCC(NC(=O)Cc4ccccc4O)CC3)CCCCC2)cc1
InChIInChI=1S/C27H36N2O3/c1-32-24-11-9-22(10-12-24)27(15-5-2-6-16-27)20-29-17-13-23(14-18-29)28-26(31)19-21-7-3-4-8-25(21)30/h3-4,7-12,23,30H,2,5-6,13-20H2,1H3,(H,28,31)
InChIKeyONABRFQWPXBYBD-UHFFFAOYSA-N
XLogP4.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 92585557
N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 95853242
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]propanamide
CID 92557513
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-[(1-phenylcyclopropyl)methyl]piperidin-4-yl]acetamide
CID 92605067
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 110245179
2-(1,1-dioxothiolan-3-yl)-N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]acetamide
CID 110233894
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
CID 92557507
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
CID 95853180
N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]pyrazolidine-3-carboxamide
CID 75261396

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide (CID 92595353) is 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide is COc1ccc(C2(CN3CCC(NC(=O)Cc4ccccc4O)CC3)CCCCC2)cc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ONABRFQWPXBYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-32-24-11-9-22(10-12-24)27(15-5-2-6-16-27)20-29-17-13-23(14-18-29)28-26(31)19-21-7-3-4-8-25(21)30/h3-4,7-12,23,30H,2,5-6,13-20H2,1H3,(H,28,31).
What are the key properties of 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide?
2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 436.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 92595353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).