N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide

C28H36N2O — CID 10549849

IUPACN,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(CC=C(C)C)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
InChIKeyOKBFNGNTOSTHRK-UHFFFAOYSA-N
MW416.61 g/mol
LogP6.03
Rot. Bonds7

About N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide

N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide (PubChem CID 10549849) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
PubChem CID10549849
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC NameN,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(CC=C(C)C)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
InChIKeyOKBFNGNTOSTHRK-UHFFFAOYSA-N
XLogP6.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 69475946
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
4-[(3-acetamidophenyl)-[1-[(Z)-2-methylidene-4-sulfanylbut-3-enyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
CID 142922018
N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
CID 142966943
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10297282
CID 174412487
CID 174412487
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10298976

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide (CID 10549849) is N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(CC=C(C)C)CC2)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide?
The InChIKey is OKBFNGNTOSTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3.
What are the key properties of N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide?
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide has a molecular weight of 416.61 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide is sourced from PubChem (CID 10549849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).