1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one

C19H25N3O — CID 95935284

IUPAC1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCC[C@@H]1CN(C(=O)CCn2ccnc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C19H25N3O/c1-2-16-14-22(19(23)9-11-21-13-10-20-15-21)12-8-18(16)17-6-4-3-5-7-17/h3-7,10,13,15-16,18H,2,8-9,11-12,14H2,1H3/t16-,18-/m1/s1
InChIKeyPOCYRRCFZBVDHY-SJLPKXTDSA-N
MW311.43 g/mol
LogP3.32
Rot. Bonds5

About 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 95935284) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID95935284
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCC[C@@H]1CN(C(=O)CCn2ccnc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C19H25N3O/c1-2-16-14-22(19(23)9-11-21-13-10-20-15-21)12-8-18(16)17-6-4-3-5-7-17/h3-7,10,13,15-16,18H,2,8-9,11-12,14H2,1H3/t16-,18-/m1/s1
InChIKeyPOCYRRCFZBVDHY-SJLPKXTDSA-N
XLogP3.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
1-(3-ethyl-4-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 84585365
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 18928687
methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 95935159
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
1-[(3R,3aS,4R,8aS)-4-hydroxy-1-methyl-3-phenyl-2,3,3a,4,5,6,8,8a-octahydropyrrolo[2,3-c]azepin-7-yl]-2-imidazol-1-ylethanone
CID 110143096
N-benzyl-2-[(3S,4S)-1-(3-imidazol-1-ylpropanoyl)-4-phenoxypiperidin-3-yl]-N-methylacetamide
CID 110077995
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 95935284) is 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one is CC[C@@H]1CN(C(=O)CCn2ccnc2)CC[C@H]1c1ccccc1.
What is the InChIKey of 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is POCYRRCFZBVDHY-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-16-14-22(19(23)9-11-21-13-10-20-15-21)12-8-18(16)17-6-4-3-5-7-17/h3-7,10,13,15-16,18H,2,8-9,11-12,14H2,1H3/t16-,18-/m1/s1.
What are the key properties of 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 95935284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).