2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C18H22N2O4 — CID 119180811

IUPAC2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C18H22N2O4/c1-11-4-2-3-5-13(11)16(21)19-12-6-8-20(9-7-12)17(22)14-10-15(14)18(23)24/h2-5,12,14-15H,6-10H2,1H3,(H,19,21)(H,23,24)
InChIKeyUPIHXPXCTDEOFD-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.44
Rot. Bonds4

About 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 119180811) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID119180811
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C18H22N2O4/c1-11-4-2-3-5-13(11)16(21)19-12-6-8-20(9-7-12)17(22)14-10-15(14)18(23)24/h2-5,12,14-15H,6-10H2,1H3,(H,19,21)(H,23,24)
InChIKeyUPIHXPXCTDEOFD-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119288335
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
CID 43814168
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 119180811) is 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is Cc1ccccc1C(=O)NC1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is UPIHXPXCTDEOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-4-2-3-5-13(11)16(21)19-12-6-8-20(9-7-12)17(22)14-10-15(14)18(23)24/h2-5,12,14-15H,6-10H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119180811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).