1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H22N4O3 — CID 122123820

IUPAC1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCn1cc(CNC(=O)N2CC(C)CC(C(=O)O)C2)cn1
InChIInChI=1S/C14H22N4O3/c1-3-18-8-11(6-16-18)5-15-14(21)17-7-10(2)4-12(9-17)13(19)20/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyJBYLVPDDNPJCPT-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.16
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123820) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123820
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCn1cc(CNC(=O)N2CC(C)CC(C(=O)O)C2)cn1
InChIInChI=1S/C14H22N4O3/c1-3-18-8-11(6-16-18)5-15-14(21)17-7-10(2)4-12(9-17)13(19)20/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyJBYLVPDDNPJCPT-UHFFFAOYSA-N
XLogP1.16
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
5-methyl-1-[[4-(methylsulfinylmethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123831
(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 125143066
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 128682443
1-[[3-(ethylcarbamoyl)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122290
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122275
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
5-methyl-1-[[2-(2-phenylethyl)pyrazol-3-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123107
5-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122985

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123820) is 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CCn1cc(CNC(=O)N2CC(C)CC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is JBYLVPDDNPJCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-18-8-11(6-16-18)5-15-14(21)17-7-10(2)4-12(9-17)13(19)20/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).