1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

C18H25N5O3 — CID 56913872

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCC(C(=O)O)(n2ccnc2C)CC1
InChIInChI=1S/C18H25N5O3/c1-12-15(13(2)21-20-12)4-5-16(24)22-9-6-18(7-10-22,17(25)26)23-11-8-19-14(23)3/h8,11H,4-7,9-10H2,1-3H3,(H,20,21)(H,25,26)
InChIKeyUMBDAUIGNDRCTF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.57
Rot. Bonds5

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56913872) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56913872
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCC(C(=O)O)(n2ccnc2C)CC1
InChIInChI=1S/C18H25N5O3/c1-12-15(13(2)21-20-12)4-5-16(24)22-9-6-18(7-10-22,17(25)26)23-11-8-19-14(23)3/h8,11H,4-7,9-10H2,1-3H3,(H,20,21)(H,25,26)
InChIKeyUMBDAUIGNDRCTF-UHFFFAOYSA-N
XLogP1.57
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 125025151
4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 56891314
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 84613412
ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 110685572
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70749732
1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56914290
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propan-1-one
CID 70736702
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 122257483
4-(2-methylimidazol-1-yl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxylic acid
CID 56909166
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)propan-1-one
CID 136524303
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (CID 56913872) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is Cc1n[nH]c(C)c1CCC(=O)N1CCC(C(=O)O)(n2ccnc2C)CC1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is UMBDAUIGNDRCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-15(13(2)21-20-12)4-5-16(24)22-9-6-18(7-10-22,17(25)26)23-11-8-19-14(23)3/h8,11H,4-7,9-10H2,1-3H3,(H,20,21)(H,25,26).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56913872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).