N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide

C17H22N2O2 — CID 51149495

IUPACN-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCC1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C17H22N2O2/c1-12-4-3-9-19(11-12)17(21)14-5-2-6-15(10-14)18-16(20)13-7-8-13/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,18,20)
InChIKeyQBWHHONCIAJBFP-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.91
Rot. Bonds3

About N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide

N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 51149495) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID51149495
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCC1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C17H22N2O2/c1-12-4-3-9-19(11-12)17(21)14-5-2-6-15(10-14)18-16(20)13-7-8-13/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,18,20)
InChIKeyQBWHHONCIAJBFP-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-[3-[(3R)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512641
N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512642
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 120624438
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide (CID 51149495) is N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide is CC1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1.
What is the InChIKey of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is QBWHHONCIAJBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-3-9-19(11-12)17(21)14-5-2-6-15(10-14)18-16(20)13-7-8-13/h2,5-6,10,12-13H,3-4,7-9,11H2,1H3,(H,18,20).
What are the key properties of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide?
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 51149495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).