3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide

C25H32N2O2 — CID 46056055

IUPAC3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(CN2CCC(C(C)=O)(c3ccccc3)CC2)c1
InChIInChI=1S/C25H32N2O2/c1-4-27(5-2)24(29)22-11-9-10-21(18-22)19-26-16-14-25(15-17-26,20(3)28)23-12-7-6-8-13-23/h6-13,18H,4-5,14-17,19H2,1-3H3
InChIKeyFDBXALQRHBQGQW-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.29
Rot. Bonds7

About 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide

3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide (PubChem CID 46056055) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide
PubChem CID46056055
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(CN2CCC(C(C)=O)(c3ccccc3)CC2)c1
InChIInChI=1S/C25H32N2O2/c1-4-27(5-2)24(29)22-11-9-10-21(18-22)19-26-16-14-25(15-17-26,20(3)28)23-12-7-6-8-13-23/h6-13,18H,4-5,14-17,19H2,1-3H3
InChIKeyFDBXALQRHBQGQW-UHFFFAOYSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 46162223
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide
CID 22729938
3-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 52551951
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
CID 56553596
4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
ethyl 1-[(3-acetylphenyl)methyl]-4-benzylpiperidine-4-carboxylate
CID 26411542
CID 174412487
CID 174412487
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide (CID 46056055) is 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(CN2CCC(C(C)=O)(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide?
The InChIKey is FDBXALQRHBQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-27(5-2)24(29)22-11-9-10-21(18-22)19-26-16-14-25(15-17-26,20(3)28)23-12-7-6-8-13-23/h6-13,18H,4-5,14-17,19H2,1-3H3.
What are the key properties of 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide?
3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide has a molecular weight of 392.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 46056055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).