(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone

C20H28N4O — CID 95737408

IUPAC(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)[C@@H](c3ccccc3)N(C)C)C2)n1
InChIInChI=1S/C20H28N4O/c1-15-13-16(2)24(21-15)18-11-8-12-23(14-18)20(25)19(22(3)4)17-9-6-5-7-10-17/h5-7,9-10,13,18-19H,8,11-12,14H2,1-4H3/t18-,19+/m0/s1
InChIKeyQGXZFPYCKHFPDK-RBUKOAKNSA-N
MW340.47 g/mol
LogP2.97
Rot. Bonds4

About (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone

(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 95737408) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID95737408
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)[C@@H](c3ccccc3)N(C)C)C2)n1
InChIInChI=1S/C20H28N4O/c1-15-13-16(2)24(21-15)18-11-8-12-23(14-18)20(25)19(22(3)4)17-9-6-5-7-10-17/h5-7,9-10,13,18-19H,8,11-12,14H2,1-4H3/t18-,19+/m0/s1
InChIKeyQGXZFPYCKHFPDK-RBUKOAKNSA-N
XLogP2.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95348926
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
CID 110614924
(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95294144
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 95734813
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95978642
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286595
(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
CID 95315157
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95737303
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone (CID 95737408) is (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone is Cc1cc(C)n([C@H]2CCCN(C(=O)[C@@H](c3ccccc3)N(C)C)C2)n1.
What is the InChIKey of (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is QGXZFPYCKHFPDK-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-13-16(2)24(21-15)18-11-8-12-23(14-18)20(25)19(22(3)4)17-9-6-5-7-10-17/h5-7,9-10,13,18-19H,8,11-12,14H2,1-4H3/t18-,19+/m0/s1.
What are the key properties of (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone?
(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 340.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 95737408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).