N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

C21H24N2O2 — CID 134044850

IUPACN-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-15-7-3-4-8-19(15)16(2)22-21(25)17-10-12-18(13-11-17)23-14-6-5-9-20(23)24/h3-4,7-8,10-13,16H,5-6,9,14H2,1-2H3,(H,22,25)
InChIKeyXNBSCRVDZDHUIZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 134044850) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID134044850
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-15-7-3-4-8-19(15)16(2)22-21(25)17-10-12-18(13-11-17)23-14-6-5-9-20(23)24/h3-4,7-8,10-13,16H,5-6,9,14H2,1-2H3,(H,22,25)
InChIKeyXNBSCRVDZDHUIZ-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51248036
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
N-[2,6-di(propan-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8778699
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509087
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 52509086
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45220458

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 134044850) is N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is Cc1ccccc1C(C)NC(=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is XNBSCRVDZDHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-7-3-4-8-19(15)16(2)22-21(25)17-10-12-18(13-11-17)23-14-6-5-9-20(23)24/h3-4,7-8,10-13,16H,5-6,9,14H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 134044850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).