N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide

C29H30Cl2N2O3 — CID 124973613

IUPACN-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C29H30Cl2N2O3/c1-32(19-22-10-4-2-5-11-22)26(34)18-29(21-36-23-12-6-3-7-13-23)16-9-17-33(20-29)28(35)27-24(30)14-8-15-25(27)31/h2-8,10-15H,9,16-21H2,1H3/t29-/m1/s1
InChIKeyKLFTVCBGNNDVMN-GDLZYMKVSA-N
MW525.48 g/mol
LogP6.34
Rot. Bonds8

About N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide

N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide (PubChem CID 124973613) has the molecular formula C29H30Cl2N2O3 and a molecular weight of 525.48 g/mol. Its IUPAC name is N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
PubChem CID124973613
Molecular FormulaC29H30Cl2N2O3
Molecular Weight525.48 g/mol
Exact Mass524.16
IUPAC NameN-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C29H30Cl2N2O3/c1-32(19-22-10-4-2-5-11-22)26(34)18-29(21-36-23-12-6-3-7-13-23)16-9-17-33(20-29)28(35)27-24(30)14-8-15-25(27)31/h2-8,10-15H,9,16-21H2,1H3/t29-/m1/s1
InChIKeyKLFTVCBGNNDVMN-GDLZYMKVSA-N
XLogP6.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide
CID 110081175
N-benzyl-2-[1-(3-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 110081174
N-benzyl-2-[3-[(4-chlorophenoxy)methyl]-1-(2-fluorobenzoyl)piperidin-3-yl]-N-methylacetamide
CID 110080935
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-[(3-chlorophenoxy)methyl]-1-(4,4-difluorocyclohexanecarbonyl)piperidin-3-yl]-N-methylacetamide
CID 110079046
N-benzyl-2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(3-fluoro-4-methylbenzoyl)piperidin-3-yl]-N-methylacetamide
CID 125010566
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-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
N-benzyl-2-[1-[5-(2-fluorophenyl)furan-2-carbonyl]-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 110081194
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-methylacetamide
CID 110079054
N-benzyl-2-[(3S)-1-benzylsulfonyl-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 124983540

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide (CID 124973613) is N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide?
The InChIKey is KLFTVCBGNNDVMN-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H30Cl2N2O3/c1-32(19-22-10-4-2-5-11-22)26(34)18-29(21-36-23-12-6-3-7-13-23)16-9-17-33(20-29)28(35)27-24(30)14-8-15-25(27)31/h2-8,10-15H,9,16-21H2,1H3/t29-/m1/s1.
What are the key properties of N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide?
N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide has a molecular weight of 525.48 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 124973613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).