N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide

C20H27ClN2O2 — CID 108559585

IUPACN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C20H27ClN2O2/c21-17-8-6-15(7-9-17)14-19(24)23-12-10-18(11-13-23)22-20(25)16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-14H2,(H,22,25)
InChIKeyRIUXZPPKNLGWGL-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.57
Rot. Bonds4

About N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 108559585) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID108559585
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C20H27ClN2O2/c21-17-8-6-15(7-9-17)14-19(24)23-12-10-18(11-13-23)22-20(25)16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-14H2,(H,22,25)
InChIKeyRIUXZPPKNLGWGL-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108561805
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
N-[1-[2-(4-butylphenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443319

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide (CID 108559585) is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is RIUXZPPKNLGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-17-8-6-15(7-9-17)14-19(24)23-12-10-18(11-13-23)22-20(25)16-4-2-1-3-5-16/h6-9,16,18H,1-5,10-14H2,(H,22,25).
What are the key properties of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 362.90 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 108559585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).