1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H23N5O3 — CID 95870233

IUPAC1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)[C@@H](C)n3ccnc3C)CC2)c1
InChIInChI=1S/C17H23N5O3/c1-12-10-19-22(11-12)17(16(24)25)4-7-20(8-5-17)15(23)13(2)21-9-6-18-14(21)3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyKJUJUBJSGWEUFL-CYBMUJFWSA-N
MW345.40 g/mol
LogP1.36
Rot. Bonds4

About 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 95870233) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID95870233
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)[C@@H](C)n3ccnc3C)CC2)c1
InChIInChI=1S/C17H23N5O3/c1-12-10-19-22(11-12)17(16(24)25)4-7-20(8-5-17)15(23)13(2)21-9-6-18-14(21)3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyKJUJUBJSGWEUFL-CYBMUJFWSA-N
XLogP1.36
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
4-(4-methylpyrazol-1-yl)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 56898183
(2R)-1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 95871198
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56901662
4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 126450488
1-(cyclohex-3-ene-1-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70781523
1'-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97149961
1-(4-cyanobenzoyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56888878
2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56911887
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56916565
4-(4-methylpyrazol-1-yl)-1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 122131210

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 95870233) is 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)[C@@H](C)n3ccnc3C)CC2)c1.
What is the InChIKey of 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is KJUJUBJSGWEUFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-10-19-22(11-12)17(16(24)25)4-7-20(8-5-17)15(23)13(2)21-9-6-18-14(21)3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,24,25)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 95870233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).