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

C31H38N2O2 — CID 22729938

IUPAC4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3ccc(C)c(OC)c3)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H38N2O2/c1-5-33(6-2)30(34)26-13-16-27(17-14-26)31(28-15-12-24(3)29(22-28)35-4)18-20-32(21-19-31)23-25-10-8-7-9-11-25/h7-17,22H,5-6,18-21,23H2,1-4H3
InChIKeyGNIYAMYRFLPPKT-UHFFFAOYSA-N
MW470.66 g/mol
LogP6.07
Rot. Bonds8

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

4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide (PubChem CID 22729938) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide
PubChem CID22729938
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC Name4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3ccc(C)c(OC)c3)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H38N2O2/c1-5-33(6-2)30(34)26-13-16-27(17-14-26)31(28-15-12-24(3)29(22-28)35-4)18-20-32(21-19-31)23-25-10-8-7-9-11-25/h7-17,22H,5-6,18-21,23H2,1-4H3
InChIKeyGNIYAMYRFLPPKT-UHFFFAOYSA-N
XLogP6.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
CID 22729931
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide
CID 46056055
1-benzyl-4-(3,4-dimethylphenyl)piperidine-4-carbonyl chloride;hydrochloride
CID 87591877
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
4-[(1-benzylpiperidin-4-ylidene)-bromomethyl]-N,N-diethylbenzamide;4-[bromo(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide;dichloromethane
CID 159372011
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide (CID 22729938) is 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C2(c3ccc(C)c(OC)c3)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
The InChIKey is GNIYAMYRFLPPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-5-33(6-2)30(34)26-13-16-27(17-14-26)31(28-15-12-24(3)29(22-28)35-4)18-20-32(21-19-31)23-25-10-8-7-9-11-25/h7-17,22H,5-6,18-21,23H2,1-4H3.
What are the key properties of 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide has a molecular weight of 470.66 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 22729938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).