1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid

C17H20N2O4 — CID 120515009

IUPAC1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H20N2O4/c20-15(18-13-8-9-13)11-4-6-12(7-5-11)16(21)19-10-2-1-3-14(19)17(22)23/h4-7,13-14H,1-3,8-10H2,(H,18,20)(H,22,23)
InChIKeyDLKSYXMQOOBWJR-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.66
Rot. Bonds4

About 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid

1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid (PubChem CID 120515009) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
PubChem CID120515009
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H20N2O4/c20-15(18-13-8-9-13)11-4-6-12(7-5-11)16(21)19-10-2-1-3-14(19)17(22)23/h4-7,13-14H,1-3,8-10H2,(H,18,20)(H,22,23)
InChIKeyDLKSYXMQOOBWJR-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120514922
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 102559914
N-cyclopropyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109043261
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
(2R)-1-[4-[(S)-methylsulfinyl]benzoyl]piperidine-2-carboxylic acid
CID 124577139
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119371394
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 66264234
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid (CID 120515009) is 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid is O=C(NC1CC1)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is DLKSYXMQOOBWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15(18-13-8-9-13)11-4-6-12(7-5-11)16(21)19-10-2-1-3-14(19)17(22)23/h4-7,13-14H,1-3,8-10H2,(H,18,20)(H,22,23).
What are the key properties of 1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.66, 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-2-carboxylic acid is sourced from PubChem (CID 120515009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).