5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid

C15H24N4O3 — CID 122102727

IUPAC5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)n(C)n1
InChIInChI=1S/C15H24N4O3/c1-4-5-12-7-13(18(3)17-12)16-15(22)19-8-10(2)6-11(9-19)14(20)21/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyBPNLONNWNPBWDL-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.95
Rot. Bonds4

About 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122102727) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122102727
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)n(C)n1
InChIInChI=1S/C15H24N4O3/c1-4-5-12-7-13(18(3)17-12)16-15(22)19-8-10(2)6-11(9-19)14(20)21/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyBPNLONNWNPBWDL-UHFFFAOYSA-N
XLogP1.95
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102415
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
1-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102744
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99634463
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102573
5-methyl-1-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102969
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
N-(3-ethyl-1-methylpyrazol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 111422829
1-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102887

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122102727) is 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid is CCCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)n(C)n1.
What is the InChIKey of 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BPNLONNWNPBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-5-12-7-13(18(3)17-12)16-15(22)19-8-10(2)6-11(9-19)14(20)21/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,22)(H,20,21).
What are the key properties of 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122102727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).