N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide

C24H30N2O — CID 56983782

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
SMILESCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C24H30N2O/c1-25(24(27)13-12-21-8-4-2-5-9-21)17-14-22-15-18-26(19-16-22)20-23-10-6-3-7-11-23/h2-13,22H,14-20H2,1H3
InChIKeyBKEWSNLRICTDEO-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide (PubChem CID 56983782) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
PubChem CID56983782
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
SMILESCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C24H30N2O/c1-25(24(27)13-12-21-8-4-2-5-9-21)17-14-22-15-18-26(19-16-22)20-23-10-6-3-7-11-23/h2-13,22H,14-20H2,1H3
InChIKeyBKEWSNLRICTDEO-UHFFFAOYSA-N
XLogP4.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.46
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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
benzene;(E)-3-[4-[[4-[(cyclopropylamino)methyl]piperidin-1-yl]methyl]phenyl]-N-methyl-N-methylsulfanylprop-2-enamide
CID 145307580
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 76908171
3-[3-[(4-ethylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909541
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
4-(1-benzylpiperidin-4-yl)-N,N-diethylbutan-1-amine;ethane
CID 142036971
4-[(1-benzylpiperidin-4-yl)methyl]-N,N-dimethylaniline;(E)-but-2-enedioic acid
CID 19390935
(E)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 8849909

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide (CID 56983782) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide is CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide?
The InChIKey is BKEWSNLRICTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-25(24(27)13-12-21-8-4-2-5-9-21)17-14-22-15-18-26(19-16-22)20-23-10-6-3-7-11-23/h2-13,22H,14-20H2,1H3.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide has a molecular weight of 362.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 56983782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).