N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide

C21H32N2O2 — CID 86802047

IUPACN-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide
SMILESCOc1cccc(CC2CCN(C3CCC(NC(C)=O)CC3)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-16(24)22-19-6-8-20(9-7-19)23-12-10-17(11-13-23)14-18-4-3-5-21(15-18)25-2/h3-5,15,17,19-20H,6-14H2,1-2H3,(H,22,24)
InChIKeyWKHAPMUDUFOJQC-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.40
Rot. Bonds5

About N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide

N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide (PubChem CID 86802047) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide
PubChem CID86802047
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide
SMILESCOc1cccc(CC2CCN(C3CCC(NC(C)=O)CC3)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-16(24)22-19-6-8-20(9-7-19)23-12-10-17(11-13-23)14-18-4-3-5-21(15-18)25-2/h3-5,15,17,19-20H,6-14H2,1-2H3,(H,22,24)
InChIKeyWKHAPMUDUFOJQC-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylpiperidin-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 110754764
N-(4-hydroxy-4-phenylcyclohexyl)-4-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 154861617
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
(2R)-N-cyclopropyl-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide
CID 97000744
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 126808966
N-(1-cyclopropylpiperidin-4-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557750

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide (CID 86802047) is N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide is COc1cccc(CC2CCN(C3CCC(NC(C)=O)CC3)CC2)c1.
What is the InChIKey of N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide?
The InChIKey is WKHAPMUDUFOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(24)22-19-6-8-20(9-7-19)23-12-10-17(11-13-23)14-18-4-3-5-21(15-18)25-2/h3-5,15,17,19-20H,6-14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide?
N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 86802047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).