1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C12H18N4O3 — CID 114159335

IUPAC1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C12H18N4O3/c1-8(10-6-13-14-7-10)15-12(19)16-4-2-9(3-5-16)11(17)18/h6-9H,2-5H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyDWPQNXILZQTRBB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.98
Rot. Bonds3

About 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 114159335) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID114159335
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C12H18N4O3/c1-8(10-6-13-14-7-10)15-12(19)16-4-2-9(3-5-16)11(17)18/h6-9H,2-5H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyDWPQNXILZQTRBB-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 139018214
4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106215711
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 106208912
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 114159335) is 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is CC(NC(=O)N1CCC(C(=O)O)CC1)c1cn[nH]c1.
What is the InChIKey of 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is DWPQNXILZQTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8(10-6-13-14-7-10)15-12(19)16-4-2-9(3-5-16)11(17)18/h6-9H,2-5H2,1H3,(H,13,14)(H,15,19)(H,17,18).
What are the key properties of 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114159335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).