4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide

C30H36N2O2 — CID 12968707

IUPAC4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C30H36N2O2/c1-4-32(5-2)29(33)25-15-17-26(18-16-25)30(27-13-9-14-28(21-27)34-3)19-10-20-31(23-30)22-24-11-7-6-8-12-24/h6-9,11-18,21H,4-5,10,19-20,22-23H2,1-3H3
InChIKeyDFFNVGBCGQYEHN-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.76
Rot. Bonds8

About 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide

4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide (PubChem CID 12968707) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
PubChem CID12968707
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C30H36N2O2/c1-4-32(5-2)29(33)25-15-17-26(18-16-25)30(27-13-9-14-28(21-27)34-3)19-10-20-31(23-30)22-24-11-7-6-8-12-24/h6-9,11-18,21H,4-5,10,19-20,22-23H2,1-3H3
InChIKeyDFFNVGBCGQYEHN-UHFFFAOYSA-N
XLogP5.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide
CID 22729938
N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
CID 22729931
lithium;3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]benzoic acid;hydride
CID 173126199
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
N,N-diethyl-4-[3-(3-hydroxyphenyl)-1-(3,4,4-trifluorobut-3-enyl)piperidin-3-yl]benzamide
CID 18679397
[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 24965922
[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 24964516
1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine
CID 22729934
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide (CID 12968707) is 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide?
The InChIKey is DFFNVGBCGQYEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-4-32(5-2)29(33)25-15-17-26(18-16-25)30(27-13-9-14-28(21-27)34-3)19-10-20-31(23-30)22-24-11-7-6-8-12-24/h6-9,11-18,21H,4-5,10,19-20,22-23H2,1-3H3.
What are the key properties of 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide?
4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide has a molecular weight of 456.63 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 12968707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).