(2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C16H23N5O — CID 95603290

IUPAC(2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)c1
InChIInChI=1S/C16H23N5O/c1-13-9-18-20(10-13)11-15-5-3-4-7-21(15)16(22)14(2)19-8-6-17-12-19/h6,8-10,12,14-15H,3-5,7,11H2,1-2H3/t14-,15+/m0/s1
InChIKeyVLNYIGLIRLRYNW-LSDHHAIUSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one

(2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 95603290) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID95603290
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)c1
InChIInChI=1S/C16H23N5O/c1-13-9-18-20(10-13)11-15-5-3-4-7-21(15)16(22)14(2)19-8-6-17-12-19/h6,8-10,12,14-15H,3-5,7,11H2,1-2H3/t14-,15+/m0/s1
InChIKeyVLNYIGLIRLRYNW-LSDHHAIUSA-N
XLogP2.03
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-imidazol-1-yl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95354634
(2S)-3-methyl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95603282
3-(2-methylpropoxy)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 95349364
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95605637
N-[3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56779064
(3R)-3-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 95603258
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56779011
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95316152
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693

Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 95603290) is (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one is Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)c1.
What is the InChIKey of (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is VLNYIGLIRLRYNW-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-9-18-20(10-13)11-15-5-3-4-7-21(15)16(22)14(2)19-8-6-17-12-19/h6,8-10,12,14-15H,3-5,7,11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
(2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95603290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).