4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide

C30H35N3O2 — CID 45483211

IUPAC4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H35N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,23,28H,3-4,17-20,22H2,1-2H3
InChIKeyLYNLSHMBYBRFTN-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.78
Rot. Bonds9

About 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide

4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide (PubChem CID 45483211) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide
PubChem CID45483211
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C30H35N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,23,28H,3-4,17-20,22H2,1-2H3
InChIKeyLYNLSHMBYBRFTN-UHFFFAOYSA-N
XLogP5.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzoylbenzyl fentanyl
CID 10044685
Benzoylfentanyl
CID 139025450
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide Fumarate
CID 10250291
4-[((1S,5R)-8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-phenyl-amino]-N,N-diethyl-benzamide
CID 9888235
4-((1-benzylpiperidin-4-yl)(3-carbamoylphenyl)amino)-N,N-diethylbenzamide
CID 10206319
Tris(4-formylphenyl)amine
CID 231956
4-[Ethyl(phenylmethyl)amino]benzaldehyde
CID 282269
Methyl 3-((1-benzylpiperidin-4-yl)(4-(diethylcarbamoyl)phenyl)amino)phenylcarbamate
CID 45483664
N-((2S,4R)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 1101166
N-((2R,4S)-1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 1101169
1-[4-(4-Benzoylpiperazin-1-yl)phenyl]ethanone
CID 1245188
N-(1-Benzoyl-2-methyl-1,2,3,4-tetrahydro-quinolin-4-yl)-N-phenyl-acetamide
CID 2835215

Frequently Asked Questions

What is the IUPAC name of 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide?
The IUPAC name of 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide (CID 45483211) is 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide?
The InChIKey is LYNLSHMBYBRFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,23,28H,3-4,17-20,22H2,1-2H3.
What are the key properties of 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide?
4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide has a molecular weight of 469.63 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(1-benzylpiperidin-4-yl)-3-formylanilino)-N,N-diethylbenzamide is sourced from PubChem (CID 45483211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).