1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid

C15H23N3O3 — CID 107069848

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCc1cc(C)n(CCC(=O)N2CCCC(C)C2C(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-10-5-4-7-17(14(10)15(20)21)13(19)6-8-18-12(3)9-11(2)16-18/h9-10,14H,4-8H2,1-3H3,(H,20,21)
InChIKeyOKGDIEZRZTYRSW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.60
Rot. Bonds4

About 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid

1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069848) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107069848
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCc1cc(C)n(CCC(=O)N2CCCC(C)C2C(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-10-5-4-7-17(14(10)15(20)21)13(19)6-8-18-12(3)9-11(2)16-18/h9-10,14H,4-8H2,1-3H3,(H,20,21)
InChIKeyOKGDIEZRZTYRSW-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 66262558
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]propan-1-one
CID 138381261
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 79612728
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 54878873
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
1-[(3aS,7aS)-1-(4-fluorophenyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 155999197
4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66060966
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759339
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759341

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid (CID 107069848) is 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid is Cc1cc(C)n(CCC(=O)N2CCCC(C)C2C(=O)O)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is OKGDIEZRZTYRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-5-4-7-17(14(10)15(20)21)13(19)6-8-18-12(3)9-11(2)16-18/h9-10,14H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid?
1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).