1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C16H18N4O3 — CID 122090086

IUPAC1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)C1
InChIInChI=1S/C16H18N4O3/c21-15(22)12-4-2-8-20(10-12)16(23)18-13-5-1-3-11(9-13)14-6-7-17-19-14/h1,3,5-7,9,12H,2,4,8,10H2,(H,17,19)(H,18,23)(H,21,22)
InChIKeyYMHKEQDOMCLUPO-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.41
Rot. Bonds3

About 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122090086) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122090086
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)C1
InChIInChI=1S/C16H18N4O3/c21-15(22)12-4-2-8-20(10-12)16(23)18-13-5-1-3-11(9-13)14-6-7-17-19-14/h1,3,5-7,9,12H,2,4,8,10H2,(H,17,19)(H,18,23)(H,21,22)
InChIKeyYMHKEQDOMCLUPO-UHFFFAOYSA-N
XLogP2.41
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077628
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide
CID 118779122
1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087292
1-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090866

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122090086) is 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)C1.
What is the InChIKey of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YMHKEQDOMCLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(22)12-4-2-8-20(10-12)16(23)18-13-5-1-3-11(9-13)14-6-7-17-19-14/h1,3,5-7,9,12H,2,4,8,10H2,(H,17,19)(H,18,23)(H,21,22).
What are the key properties of 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122090086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).