N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide

C22H32N2O2 — CID 46378930

IUPACN-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
SMILESCc1ccc(C(=O)N2CCC(CCNC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17-7-9-20(10-8-17)22(26)24-15-12-18(13-16-24)11-14-23-21(25)19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyVACPYQJFQNJSGW-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.93
Rot. Bonds5

About N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide

N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide (PubChem CID 46378930) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
PubChem CID46378930
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
SMILESCc1ccc(C(=O)N2CCC(CCNC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17-7-9-20(10-8-17)22(26)24-15-12-18(13-16-24)11-14-23-21(25)19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyVACPYQJFQNJSGW-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide
CID 124841294
4-[2-(cyclobutanecarbonylamino)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913288
1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
CID 125179458
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
3,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzamide
CID 46378959
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
N-[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 24567090

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide (CID 46378930) is N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide is Cc1ccc(C(=O)N2CCC(CCNC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is VACPYQJFQNJSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17-7-9-20(10-8-17)22(26)24-15-12-18(13-16-24)11-14-23-21(25)19-5-3-2-4-6-19/h7-10,18-19H,2-6,11-16H2,1H3,(H,23,25).
What are the key properties of N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide?
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 46378930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).