1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid

C24H24N4O4 — CID 167986303

IUPAC1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)c2)n1
InChIInChI=1S/C24H24N4O4/c29-22(14-17-6-2-1-3-7-17)27-12-5-8-18(16-27)23(30)25-19-9-4-10-20(15-19)28-13-11-21(26-28)24(31)32/h1-4,6-7,9-11,13,15,18H,5,8,12,14,16H2,(H,25,30)(H,31,32)
InChIKeyDYZQJUVNYHKWNF-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.99
Rot. Bonds6

About 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid

1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 167986303) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
PubChem CID167986303
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)c2)n1
InChIInChI=1S/C24H24N4O4/c29-22(14-17-6-2-1-3-7-17)27-12-5-8-18(16-27)23(30)25-19-9-4-10-20(15-19)28-13-11-21(26-28)24(31)32/h1-4,6-7,9-11,13,15,18H,5,8,12,14,16H2,(H,25,30)(H,31,32)
InChIKeyDYZQJUVNYHKWNF-UHFFFAOYSA-N
XLogP2.99
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
1-[3-[[(1-butanoylpiperidine-3-carbonyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629660
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978
1-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 166224809
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
ethyl 1-[3-[[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylate
CID 39014081
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid (CID 167986303) is 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2cccc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)c2)n1.
What is the InChIKey of 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is DYZQJUVNYHKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-22(14-17-6-2-1-3-7-17)27-12-5-8-18(16-27)23(30)25-19-9-4-10-20(15-19)28-13-11-21(26-28)24(31)32/h1-4,6-7,9-11,13,15,18H,5,8,12,14,16H2,(H,25,30)(H,31,32).
What are the key properties of 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid?
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 167986303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).