4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

C14H22N4O3 — CID 63303555

IUPAC4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2ccnn2C)CC1
InChIInChI=1S/C14H22N4O3/c1-3-14(12(19)20)5-8-18(9-6-14)13(21)15-10-11-4-7-16-17(11)2/h4,7H,3,5-6,8-10H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyVWDIYLCUONUUOY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.21
Rot. Bonds4

About 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63303555) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63303555
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCc2ccnn2C)CC1
InChIInChI=1S/C14H22N4O3/c1-3-14(12(19)20)5-8-18(9-6-14)13(21)15-10-11-4-7-16-17(11)2/h4,7H,3,5-6,8-10H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyVWDIYLCUONUUOY-UHFFFAOYSA-N
XLogP1.21
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 112319116
3-[[3-[3-(Trifluoromethyl)pyrazol-1-yl]piperidine-1-carbonyl]amino]propanoic acid
CID 122017949
4-[[3-[3-(Trifluoromethyl)pyrazol-1-yl]piperidine-1-carbonyl]amino]butanoic acid
CID 122022897
4-[[4-[3-(Trifluoromethyl)pyrazol-1-yl]piperidine-1-carbonyl]amino]butanoic acid
CID 122022915
4-Methyl-1-[(3,3,3-trifluoro-2-pyrazol-1-ylpropyl)carbamoyl]piperidine-4-carboxylic acid
CID 136555149
9-[(2-Methylpyrazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid
CID 155826400
(1-Methylpyrazol-3-yl)methyl-(3-piperidin-4-ylpropyl)carbamic acid
CID 66661041
[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]methylcarbamic acid
CID 156094874
Tert-butyl 4-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperazine-1-carboxylate
CID 33652963
Ethyl 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylate
CID 33653612
6-[(2-Methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 55204414
4-Methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 55204600

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 63303555) is 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCc2ccnn2C)CC1.
What is the InChIKey of 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is VWDIYLCUONUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-14(12(19)20)5-8-18(9-6-14)13(21)15-10-11-4-7-16-17(11)2/h4,7H,3,5-6,8-10H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63303555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).