4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide

C31H37N3O2 — CID 45483259

IUPAC4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H37N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3
InChIKeyJSLRBQOORJVJEV-UHFFFAOYSA-N
MW483.66 g/mol
LogP6.17
Rot. Bonds9

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

4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide (PubChem CID 45483259) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide
PubChem CID45483259
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC Name4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H37N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3
InChIKeyJSLRBQOORJVJEV-UHFFFAOYSA-N
XLogP6.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
Benzoylbenzyl fentanyl
CID 10044685
3-Phenylpropanoylfentanyl
CID 137700126
Benzoylfentanyl
CID 139025450
2-Piperidinoanthraquinone
CID 238958
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-((R)-(S)-8-Aza-bicyclo[3.2.1]oct-3-yl-phenyl-amino)-N,N-diethyl-benzamide
CID 9951665
4-((1-benzylpiperidin-4-yl)(3-carbamoylphenyl)amino)-N,N-diethylbenzamide
CID 10206319
4-{[4-(acetylamino)phenyl][1-(4-fluorobenzyl)piperidin 4 ylidene]methyl}-N,N-diethylbenzamide
CID 11283686
1-[4-(4-Benzoyl-piperazin-1-yl)-3-fluoro-phenyl]-butan-1-one
CID 613152

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide?
The IUPAC name of 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide (CID 45483259) is 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide?
The InChIKey is JSLRBQOORJVJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3.
What are the key properties of 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide?
4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide has a molecular weight of 483.66 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetyl-N-(1-benzylpiperidin-4-yl)anilino)-N,N-diethylbenzamide is sourced from PubChem (CID 45483259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).