1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one

C20H27N3O — CID 18928687

IUPAC1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)CCC1CCn1ccnc1
InChIInChI=1S/C20H27N3O/c1-17-15-23(20(24)8-7-18-5-3-2-4-6-18)13-10-19(17)9-12-22-14-11-21-16-22/h2-6,11,14,16-17,19H,7-10,12-13,15H2,1H3
InChIKeyPOZBWRNBLIAOSL-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.39
Rot. Bonds6

About 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one

1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 18928687) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
PubChem CID18928687
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccccc2)CCC1CCn1ccnc1
InChIInChI=1S/C20H27N3O/c1-17-15-23(20(24)8-7-18-5-3-2-4-6-18)13-10-19(17)9-12-22-14-11-21-16-22/h2-6,11,14,16-17,19H,7-10,12-13,15H2,1H3
InChIKeyPOZBWRNBLIAOSL-UHFFFAOYSA-N
XLogP3.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one;1-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 67753486
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
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-(4-chloro-3-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 114683070
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
N-benzyl-2-[(3S,4S)-1-(3-imidazol-1-ylpropanoyl)-4-phenoxypiperidin-3-yl]-N-methylacetamide
CID 110077995
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one (CID 18928687) is 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one is CC1CN(C(=O)CCc2ccccc2)CCC1CCn1ccnc1.
What is the InChIKey of 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is POZBWRNBLIAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-17-15-23(20(24)8-7-18-5-3-2-4-6-18)13-10-19(17)9-12-22-14-11-21-16-22/h2-6,11,14,16-17,19H,7-10,12-13,15H2,1H3.
What are the key properties of 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 325.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 18928687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).