N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide

C16H21N3O2 — CID 60960262

IUPACN-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C16H21N3O2/c17-14-4-2-1-3-13(14)16(21)19-9-7-12(8-10-19)18-15(20)11-5-6-11/h1-4,11-12H,5-10,17H2,(H,18,20)
InChIKeyPITMHLZKGYAAFD-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.40
Rot. Bonds3

About N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 60960262) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID60960262
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESNc1ccccc1C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C16H21N3O2/c17-14-4-2-1-3-13(14)16(21)19-9-7-12(8-10-19)18-15(20)11-5-6-11/h1-4,11-12H,5-10,17H2,(H,18,20)
InChIKeyPITMHLZKGYAAFD-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 46446186
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide (CID 60960262) is N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide is Nc1ccccc1C(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is PITMHLZKGYAAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-14-4-2-1-3-13(14)16(21)19-9-7-12(8-10-19)18-15(20)11-5-6-11/h1-4,11-12H,5-10,17H2,(H,18,20).
What are the key properties of N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 60960262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).