N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide

C22H34N2O2 — CID 86860877

IUPACN-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)Oc1ccccc1CN1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H34N2O2/c1-17(2)26-21-11-7-6-10-19(21)16-24-14-12-20(13-15-24)23-22(25)18-8-4-3-5-9-18/h6-7,10-11,17-18,20H,3-5,8-9,12-16H2,1-2H3,(H,23,25)
InChIKeyCIBJSKCUARIVQJ-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.13
Rot. Bonds6

About N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 86860877) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID86860877
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)Oc1ccccc1CN1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C22H34N2O2/c1-17(2)26-21-11-7-6-10-19(21)16-24-14-12-20(13-15-24)23-22(25)18-8-4-3-5-9-18/h6-7,10-11,17-18,20H,3-5,8-9,12-16H2,1-2H3,(H,23,25)
InChIKeyCIBJSKCUARIVQJ-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
CID 46963470
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
CID 55916474
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide (CID 86860877) is N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide is CC(C)Oc1ccccc1CN1CCC(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is CIBJSKCUARIVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17(2)26-21-11-7-6-10-19(21)16-24-14-12-20(13-15-24)23-22(25)18-8-4-3-5-9-18/h6-7,10-11,17-18,20H,3-5,8-9,12-16H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 86860877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).