1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid

C12H18N4O3 — CID 54982370

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-8-9(7-14-15-8)6-13-12(19)16-5-3-2-4-10(16)11(17)18/h7,10H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyONCWTYPYTADYFN-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.87
Rot. Bonds3

About 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid

1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 54982370) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID54982370
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-8-9(7-14-15-8)6-13-12(19)16-5-3-2-4-10(16)11(17)18/h7,10H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyONCWTYPYTADYFN-UHFFFAOYSA-N
XLogP0.87
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266735
6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-6-oxohexanoic acid
CID 54896892
(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982040
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 54982042
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 54982089
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 54982183
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 54982184
2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 54982229
4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982231
1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 54982275
6-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 54982276

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 54982370) is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid is Cc1[nH]ncc1CNC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is ONCWTYPYTADYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-9(7-14-15-8)6-13-12(19)16-5-3-2-4-10(16)11(17)18/h7,10H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 54982370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).