4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide

C27H34N2O — CID 10668838

IUPAC4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(CC3CC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3
InChIKeyBCMNXLOQQXTJGI-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.48
Rot. Bonds7

About 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide

4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide (PubChem CID 10668838) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide
PubChem CID10668838
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(CC3CC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3
InChIKeyBCMNXLOQQXTJGI-UHFFFAOYSA-N
XLogP5.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
AR-M1000390
CID 9841259
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N,N-Diethyl-p-toluamide
CID 75946
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide (CID 10668838) is 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(CC3CC3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide?
The InChIKey is BCMNXLOQQXTJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3.
What are the key properties of 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide?
4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide has a molecular weight of 402.58 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-phenylmethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10668838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).