2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide

C29H32N2O3 — CID 110081175

IUPAC2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C29H32N2O3/c1-30(21-24-12-5-2-6-13-24)27(32)20-29(23-34-26-16-9-4-10-17-26)18-11-19-31(22-29)28(33)25-14-7-3-8-15-25/h2-10,12-17H,11,18-23H2,1H3
InChIKeyGCHFJCHDRBEOHK-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.04
Rot. Bonds8

About 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide

2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide (PubChem CID 110081175) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide
PubChem CID110081175
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C29H32N2O3/c1-30(21-24-12-5-2-6-13-24)27(32)20-29(23-34-26-16-9-4-10-17-26)18-11-19-31(22-29)28(33)25-14-7-3-8-15-25/h2-10,12-17H,11,18-23H2,1H3
InChIKeyGCHFJCHDRBEOHK-UHFFFAOYSA-N
XLogP5.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[1-(3-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 110081174
N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 124973613
N-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-(3-fluorobenzoyl)piperidin-3-yl]-N-methylacetamide
CID 110080938
N-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-[4-(trifluoromethoxy)benzoyl]piperidin-3-yl]-N-methylacetamide
CID 110080931
N-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-(2-fluorobenzoyl)piperidin-3-yl]-N-methylacetamide
CID 110080935
N-benzyl-2-[1-[5-(2-fluorophenyl)furan-2-carbonyl]-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 110081194
N-benzyl-2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(3-fluoro-4-methylbenzoyl)piperidin-3-yl]-N-methylacetamide
CID 125010566
N-benzyl-2-[(3S)-1-benzylsulfonyl-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 124983540
N-benzyl-2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-methylacetamide
CID 125007268
N-benzyl-N-methyl-2-[(3S)-1-(2-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124946637
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
N-benzyl-2-[(3R)-1-(4-bromophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 124940705

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide (CID 110081175) is 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide?
The InChIKey is GCHFJCHDRBEOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-30(21-24-12-5-2-6-13-24)27(32)20-29(23-34-26-16-9-4-10-17-26)18-11-19-31(22-29)28(33)25-14-7-3-8-15-25/h2-10,12-17H,11,18-23H2,1H3.
What are the key properties of 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide?
2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide has a molecular weight of 456.59 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 110081175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).