3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid

C14H22N4O3 — CID 62217947

IUPAC3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCCn1cc(NC(=O)N2CCCCC2CCC(=O)O)cn1
InChIInChI=1S/C14H22N4O3/c1-2-17-10-11(9-15-17)16-14(21)18-8-4-3-5-12(18)6-7-13(19)20/h9-10,12H,2-8H2,1H3,(H,16,21)(H,19,20)
InChIKeyATWKOCKNVMDCRN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.15
Rot. Bonds5

About 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62217947) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62217947
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCCn1cc(NC(=O)N2CCCCC2CCC(=O)O)cn1
InChIInChI=1S/C14H22N4O3/c1-2-17-10-11(9-15-17)16-14(21)18-8-4-3-5-12(18)6-7-13(19)20/h9-10,12H,2-8H2,1H3,(H,16,21)(H,19,20)
InChIKeyATWKOCKNVMDCRN-UHFFFAOYSA-N
XLogP2.15
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(1-ethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 94783876
3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217205
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide
CID 166281061
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62216964
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62210474
3-[tert-butyl-[(1-ethylpyrazol-4-yl)carbamoyl]amino]propanoic acid
CID 61209703
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid (CID 62217947) is 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid is CCn1cc(NC(=O)N2CCCCC2CCC(=O)O)cn1.
What is the InChIKey of 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is ATWKOCKNVMDCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-17-10-11(9-15-17)16-14(21)18-8-4-3-5-12(18)6-7-13(19)20/h9-10,12H,2-8H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).