N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide

C22H26N2O2 — CID 46378991

IUPACN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-6-5-9-20(16-17)21(25)23-13-10-18-11-14-24(15-12-18)22(26)19-7-3-2-4-8-19/h2-9,16,18H,10-15H2,1H3,(H,23,25)
InChIKeyCHMLKYHENYSEGH-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide (PubChem CID 46378991) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
PubChem CID46378991
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-6-5-9-20(16-17)21(25)23-13-10-18-11-14-24(15-12-18)22(26)19-7-3-2-4-8-19/h2-9,16,18H,10-15H2,1H3,(H,23,25)
InChIKeyCHMLKYHENYSEGH-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
3,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzamide
CID 46378959
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 108922106

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide (CID 46378991) is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide?
The InChIKey is CHMLKYHENYSEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-6-5-9-20(16-17)21(25)23-13-10-18-11-14-24(15-12-18)22(26)19-7-3-2-4-8-19/h2-9,16,18H,10-15H2,1H3,(H,23,25).
What are the key properties of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide?
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 46378991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).