1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid

C17H20N2O4 — CID 120512373

IUPAC1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H20N2O4/c20-15(18-14-5-6-14)11-1-3-12(4-2-11)16(21)19-9-7-13(8-10-19)17(22)23/h1-4,13-14H,5-10H2,(H,18,20)(H,22,23)
InChIKeyYHOZTVNNMKFFFK-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.52
Rot. Bonds4

About 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid

1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 120512373) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
PubChem CID120512373
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H20N2O4/c20-15(18-14-5-6-14)11-1-3-12(4-2-11)16(21)19-9-7-13(8-10-19)17(22)23/h1-4,13-14H,5-10H2,(H,18,20)(H,22,23)
InChIKeyYHOZTVNNMKFFFK-UHFFFAOYSA-N
XLogP1.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109043261
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide
CID 46508173

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid (CID 120512373) is 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid is O=C(NC1CC1)c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is YHOZTVNNMKFFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15(18-14-5-6-14)11-1-3-12(4-2-11)16(21)19-9-7-13(8-10-19)17(22)23/h1-4,13-14H,5-10H2,(H,18,20)(H,22,23).
What are the key properties of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid?
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120512373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).