1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid

C11H16N4O3 — CID 43535289

IUPAC1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCn1cc(NC(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O3/c1-14-7-9(5-12-14)13-11(18)15-4-2-3-8(6-15)10(16)17/h5,7-8H,2-4,6H2,1H3,(H,13,18)(H,16,17)
InChIKeyMCFKENWKADQSSO-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.75
Rot. Bonds2

About 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 43535289) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID43535289
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCn1cc(NC(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C11H16N4O3/c1-14-7-9(5-12-14)13-11(18)15-4-2-3-8(6-15)10(16)17/h5,7-8H,2-4,6H2,1H3,(H,13,18)(H,16,17)
InChIKeyMCFKENWKADQSSO-UHFFFAOYSA-N
XLogP0.75
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122091071
1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199274
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
1-[[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122091756
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
CID 71992760
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 115291008

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 43535289) is 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid is Cn1cc(NC(=O)N2CCCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MCFKENWKADQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-7-9(5-12-14)13-11(18)15-4-2-3-8(6-15)10(16)17/h5,7-8H,2-4,6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43535289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).