N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide

C16H20N2O2 — CID 7687364

IUPACN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)ccc1N1CCCCC1=O
InChIInChI=1S/C16H20N2O2/c1-11-10-13(17-16(20)12-5-6-12)7-8-14(11)18-9-3-2-4-15(18)19/h7-8,10,12H,2-6,9H2,1H3,(H,17,20)
InChIKeyPAHFIOBUEVDJJO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.86
Rot. Bonds3

About N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide (PubChem CID 7687364) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
PubChem CID7687364
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)ccc1N1CCCCC1=O
InChIInChI=1S/C16H20N2O2/c1-11-10-13(17-16(20)12-5-6-12)7-8-14(11)18-9-3-2-4-15(18)19/h7-8,10,12H,2-6,9H2,1H3,(H,17,20)
InChIKeyPAHFIOBUEVDJJO-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 51982092
tert-butyl 3-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42932758
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 7687446
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 42153498
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18289629
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131900696
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
2,6-difluoro-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687375
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide (CID 7687364) is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is PAHFIOBUEVDJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-10-13(17-16(20)12-5-6-12)7-8-14(11)18-9-3-2-4-15(18)19/h7-8,10,12H,2-6,9H2,1H3,(H,17,20).
What are the key properties of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide?
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 7687364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).