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

C12H18N4O3 — CID 54982184

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H18N4O3/c1-8-10(7-14-15-8)6-13-12(19)16-4-2-9(3-5-16)11(17)18/h7,9H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyLWJAEBFZTWIPFH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.72
Rot. Bonds3

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

1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 54982184) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID54982184
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H18N4O3/c1-8-10(7-14-15-8)6-13-12(19)16-4-2-9(3-5-16)11(17)18/h7,9H,2-6H2,1H3,(H,13,19)(H,14,15)(H,17,18)
InChIKeyLWJAEBFZTWIPFH-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

1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
CID 71894156
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650103
3-methyl-8-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;2,2,2-trifluoroacetic acid
CID 167864369
cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 43747909
1-N,1-N-dimethyl-4-N-(1H-pyrazol-5-ylmethyl)piperidine-1,4-dicarboxamide
CID 47286047
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidine-1-carboxamide
CID 54896614
2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54896845
2,2-diethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 54896891
6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-6-oxohexanoic acid
CID 54896892
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 54910933

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 54982184) is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid is Cc1[nH]ncc1CNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LWJAEBFZTWIPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-10(7-14-15-8)6-13-12(19)16-4-2-9(3-5-16)11(17)18/h7,9H,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-4-carboxylic acid?
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 54982184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).