2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid

C18H22N2O4 — CID 119183943

IUPAC2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CC3C(=O)O)CC2)cc1
InChIInChI=1S/C18H22N2O4/c1-11-2-4-12(5-3-11)17(22)20-8-6-13(7-9-20)19-16(21)14-10-15(14)18(23)24/h2-5,13-15H,6-10H2,1H3,(H,19,21)(H,23,24)
InChIKeyVXJDKZARQXQCPX-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.44
Rot. Bonds4

About 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119183943) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119183943
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CC3C(=O)O)CC2)cc1
InChIInChI=1S/C18H22N2O4/c1-11-2-4-12(5-3-11)17(22)20-8-6-13(7-9-20)19-16(21)14-10-15(14)18(23)24/h2-5,13-15H,6-10H2,1H3,(H,19,21)(H,23,24)
InChIKeyVXJDKZARQXQCPX-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

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180130
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119183943) is 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc(C(=O)N2CCC(NC(=O)C3CC3C(=O)O)CC2)cc1.
What is the InChIKey of 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VXJDKZARQXQCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-2-4-12(5-3-11)17(22)20-8-6-13(7-9-20)19-16(21)14-10-15(14)18(23)24/h2-5,13-15H,6-10H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]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-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119183943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).