2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid

C22H24N2O4 — CID 113083308

IUPAC2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C22H24N2O4/c25-20(11-10-16-6-2-1-3-7-16)23-17-12-14-24(15-13-17)21(26)18-8-4-5-9-19(18)22(27)28/h1-9,17H,10-15H2,(H,23,25)(H,27,28)
InChIKeyXMOGWOZEPFCJDR-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid

2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid (PubChem CID 113083308) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
PubChem CID113083308
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C22H24N2O4/c25-20(11-10-16-6-2-1-3-7-16)23-17-12-14-24(15-13-17)21(26)18-8-4-5-9-19(18)22(27)28/h1-9,17H,10-15H2,(H,23,25)(H,27,28)
InChIKeyXMOGWOZEPFCJDR-UHFFFAOYSA-N
XLogP2.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
CID 46037987
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
CID 55965713
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
CID 47056405
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid (CID 113083308) is 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid is O=C(CCc1ccccc1)NC1CCN(C(=O)c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid?
The InChIKey is XMOGWOZEPFCJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20(11-10-16-6-2-1-3-7-16)23-17-12-14-24(15-13-17)21(26)18-8-4-5-9-19(18)22(27)28/h1-9,17H,10-15H2,(H,23,25)(H,27,28).
What are the key properties of 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid?
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid has a molecular weight of 380.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 113083308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).