1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid

C12H18N4O3 — CID 54982183

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-8-10(6-14-15-8)5-13-12(19)16-4-2-3-9(7-16)11(17)18/h6,9H,2-5,7H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyMXGHEUHLEDBVMI-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.72
Rot. Bonds3

About 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 54982183) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID54982183
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-8-10(6-14-15-8)5-13-12(19)16-4-2-3-9(7-16)11(17)18/h6,9H,2-5,7H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyMXGHEUHLEDBVMI-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
1-[[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
5-Methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123243
(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982040
1-(1H-pyrazol-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54982085
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-4-carboxylic acid
CID 54982184
4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982231
6-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 54982276
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54982277
4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982322
3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982369

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 54982183) is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid is Cc1[nH]ncc1CNC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MXGHEUHLEDBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-10(6-14-15-8)5-13-12(19)16-4-2-3-9(7-16)11(17)18/h6,9H,2-5,7H2,1H3,(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.72, 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-3-carboxylic acid is sourced from PubChem (CID 54982183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).