1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide

C17H22N2O2 — CID 119137675

IUPAC1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1C1CC1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H22N2O2/c1-11-4-2-3-5-13(11)14-10-15(14)17(21)19-8-6-12(7-9-19)16(18)20/h2-5,12,14-15H,6-10H2,1H3,(H2,18,20)
InChIKeyKLLNGXUTKBZPJF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide

1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide (PubChem CID 119137675) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
PubChem CID119137675
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1C1CC1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H22N2O2/c1-11-4-2-3-5-13(11)14-10-15(14)17(21)19-8-6-12(7-9-19)16(18)20/h2-5,12,14-15H,6-10H2,1H3,(H2,18,20)
InChIKeyKLLNGXUTKBZPJF-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 119412430
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
[2-(2-methylphenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 71930075
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119624499
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
CID 124573529
[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124697762
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
CID 99696159

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide (CID 119137675) is 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide is Cc1ccccc1C1CC1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide?
The InChIKey is KLLNGXUTKBZPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-4-2-3-5-13(11)14-10-15(14)17(21)19-8-6-12(7-9-19)16(18)20/h2-5,12,14-15H,6-10H2,1H3,(H2,18,20).
What are the key properties of 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide?
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 119137675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).