(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one

C24H29NO — CID 59803282

IUPAC(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one
SMILESCc1ccc(/C=C/C(=O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H29NO/c1-20-7-9-21(10-8-20)11-12-24(26)15-18-25-16-13-23(14-17-25)19-22-5-3-2-4-6-22/h2-12,23H,13-19H2,1H3/b12-11+
InChIKeyMHQIMLAWEUFCDJ-VAWYXSNFSA-N
MW347.50 g/mol
LogP4.92
Rot. Bonds7

About (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one

(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one (PubChem CID 59803282) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one
PubChem CID59803282
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one
SMILESCc1ccc(/C=C/C(=O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H29NO/c1-20-7-9-21(10-8-20)11-12-24(26)15-18-25-16-13-23(14-17-25)19-22-5-3-2-4-6-22/h2-12,23H,13-19H2,1H3/b12-11+
InChIKeyMHQIMLAWEUFCDJ-VAWYXSNFSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69246489
5-(4-benzylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pent-1-en-3-one
CID 69247813
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
CID 108907226
5-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69248140
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
(E)-3-(4-aminophenyl)-1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
CID 84552569
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
1-(4-benzylpiperidin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 887161
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
(4E,6E)-1-(4-acetylpiperazin-1-yl)-7-phenylhepta-4,6-dien-3-one
CID 59803285

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one?
The IUPAC name of (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one (CID 59803282) is (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one.
What is the SMILES notation for (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one?
The canonical SMILES for (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one is Cc1ccc(/C=C/C(=O)CCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one?
The InChIKey is MHQIMLAWEUFCDJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H29NO/c1-20-7-9-21(10-8-20)11-12-24(26)15-18-25-16-13-23(14-17-25)19-22-5-3-2-4-6-22/h2-12,23H,13-19H2,1H3/b12-11+.
What are the key properties of (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one?
(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one has a molecular weight of 347.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one is sourced from PubChem (CID 59803282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).