2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid

C17H20N2O4 — CID 113083284

IUPAC2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C17H20N2O4/c20-15(11-5-6-11)18-12-7-9-19(10-8-12)16(21)13-3-1-2-4-14(13)17(22)23/h1-4,11-12H,5-10H2,(H,18,20)(H,22,23)
InChIKeyWSPRRXDHVYCWEY-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid

2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid (PubChem CID 113083284) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
PubChem CID113083284
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C17H20N2O4/c20-15(11-5-6-11)18-12-7-9-19(10-8-12)16(21)13-3-1-2-4-14(13)17(22)23/h1-4,11-12H,5-10H2,(H,18,20)(H,22,23)
InChIKeyWSPRRXDHVYCWEY-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

Analyze 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
N-[2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 46446186
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid (CID 113083284) is 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid?
The InChIKey is WSPRRXDHVYCWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15(11-5-6-11)18-12-7-9-19(10-8-12)16(21)13-3-1-2-4-14(13)17(22)23/h1-4,11-12H,5-10H2,(H,18,20)(H,22,23).
What are the key properties of 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid?
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic 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 2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 113083284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).