1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one

C20H27N3O — CID 67753529

IUPAC1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cnc(CCC2CCN(C(=O)CCc3ccccc3)CC2)[nH]1
InChIInChI=1S/C20H27N3O/c1-16-15-21-19(22-16)9-7-18-11-13-23(14-12-18)20(24)10-8-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,21,22)
InChIKeyKZEHHGSYEOKZFJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.52
Rot. Bonds6

About 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 67753529) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID67753529
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cnc(CCC2CCN(C(=O)CCc3ccccc3)CC2)[nH]1
InChIInChI=1S/C20H27N3O/c1-16-15-21-19(22-16)9-7-18-11-13-23(14-12-18)20(24)10-8-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,21,22)
InChIKeyKZEHHGSYEOKZFJ-UHFFFAOYSA-N
XLogP3.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-[4-[2-(triazol-2-yl)ethyl]piperidin-1-yl]propan-1-one
CID 67619627
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
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1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
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3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 114801409
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92638098
1-[4-[[5-(2-methyl-1,3-thiazol-5-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 118354977

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 67753529) is 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one is Cc1cnc(CCC2CCN(C(=O)CCc3ccccc3)CC2)[nH]1.
What is the InChIKey of 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is KZEHHGSYEOKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16-15-21-19(22-16)9-7-18-11-13-23(14-12-18)20(24)10-8-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,21,22).
What are the key properties of 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 325.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 67753529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).