phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone

C23H27NO2 — CID 19022848

IUPACphenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone
SMILESCC(OC/C=C/c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27NO2/c1-19(26-18-8-11-20-9-4-2-5-10-20)21-14-16-24(17-15-21)23(25)22-12-6-3-7-13-22/h2-13,19,21H,14-18H2,1H3/b11-8+
InChIKeyABSAHKKJLMYLSQ-DHZHZOJOSA-N
MW349.47 g/mol
LogP4.66
Rot. Bonds6

About phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone

phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 19022848) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone
PubChem CID19022848
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Namephenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone
SMILESCC(OC/C=C/c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27NO2/c1-19(26-18-8-11-20-9-4-2-5-10-20)21-14-16-24(17-15-21)23(25)22-12-6-3-7-13-22/h2-13,19,21H,14-18H2,1H3/b11-8+
InChIKeyABSAHKKJLMYLSQ-DHZHZOJOSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
CID 70052022
2-(1-benzoylpiperidin-4-yl)propanamide
CID 70046438
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043130
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
(E)-3-[3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enoic acid
CID 115966680
3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 91913389
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone (CID 19022848) is phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone is CC(OC/C=C/c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is ABSAHKKJLMYLSQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H27NO2/c1-19(26-18-8-11-20-9-4-2-5-10-20)21-14-16-24(17-15-21)23(25)22-12-6-3-7-13-22/h2-13,19,21H,14-18H2,1H3/b11-8+.
What are the key properties of phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone?
phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 349.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[1-[(E)-3-phenylprop-2-enoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 19022848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).