(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone

C19H26N4O — CID 95315157

IUPAC(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
SMILESCCN(C)[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-21(2)18(16-8-5-4-6-9-16)19(24)22-12-7-10-17(14-22)23-13-11-20-15-23/h4-6,8-9,11,13,15,17-18H,3,7,10,12,14H2,1-2H3/t17-,18-/m0/s1
InChIKeyMGMGWJDIRZFJIZ-ROUUACIJSA-N
MW326.44 g/mol
LogP2.74
Rot. Bonds5

About (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone

(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone (PubChem CID 95315157) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
PubChem CID95315157
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
SMILESCCN(C)[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-3-21(2)18(16-8-5-4-6-9-16)19(24)22-12-7-10-17(14-22)23-13-11-20-15-23/h4-6,8-9,11,13,15,17-18H,3,7,10,12,14H2,1-2H3/t17-,18-/m0/s1
InChIKeyMGMGWJDIRZFJIZ-ROUUACIJSA-N
XLogP2.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95341948
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95313077
2-[(2S)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95343524
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95341656
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
CID 95737408
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
1-[1-[(2R)-2-[ethyl(methyl)amino]-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
CID 97099154
N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95313828
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56509530

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone (CID 95315157) is (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone is CCN(C)[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccccc1.
What is the InChIKey of (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone?
The InChIKey is MGMGWJDIRZFJIZ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-21(2)18(16-8-5-4-6-9-16)19(24)22-12-7-10-17(14-22)23-13-11-20-15-23/h4-6,8-9,11,13,15,17-18H,3,7,10,12,14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone?
(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone has a molecular weight of 326.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 95315157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).