N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide

C30H34N2O2 — CID 11293990

IUPACN,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C30H34N2O2/c1-3-32(4-2)30(33)26-16-14-24(15-17-26)29(25-18-20-31-21-19-25)27-12-8-9-13-28(27)34-22-23-10-6-5-7-11-23/h5-17,31H,3-4,18-22H2,1-2H3
InChIKeyTXEGXADUSOHOGY-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.93
Rot. Bonds8

About N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide

N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide (PubChem CID 11293990) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
PubChem CID11293990
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC NameN,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C30H34N2O2/c1-3-32(4-2)30(33)26-16-14-24(15-17-26)29(25-18-20-31-21-19-25)27-12-8-9-13-28(27)34-22-23-10-6-5-7-11-23/h5-17,31H,3-4,18-22H2,1-2H3
InChIKeyTXEGXADUSOHOGY-UHFFFAOYSA-N
XLogP5.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11431614
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 142966960
4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 174490910
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 11487995
N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 23435917
4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
CID 892992
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
CID 23435896
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 142966947
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfonylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11421066

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide (CID 11293990) is N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is TXEGXADUSOHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-3-32(4-2)30(33)26-16-14-24(15-17-26)29(25-18-20-31-21-19-25)27-12-8-9-13-28(27)34-22-23-10-6-5-7-11-23/h5-17,31H,3-4,18-22H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 454.61 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 11293990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).