2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide

C29H29ClN2O3 — CID 68880462

IUPAC2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2cccc(Cl)c2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C29H29ClN2O3/c1-31(2)26(33)19-32-17-24(28(34)20-10-5-3-6-11-20)27(22-14-9-15-23(30)16-22)25(18-32)29(35)21-12-7-4-8-13-21/h3-16,24-25,27H,17-19H2,1-2H3
InChIKeyJASPZNSBVTWOBC-UHFFFAOYSA-N
MW489.02 g/mol
LogP4.83
Rot. Bonds7

About 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide

2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 68880462) has the molecular formula C29H29ClN2O3 and a molecular weight of 489.02 g/mol. Its IUPAC name is 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID68880462
Molecular FormulaC29H29ClN2O3
Molecular Weight489.02 g/mol
Exact Mass488.19
IUPAC Name2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2cccc(Cl)c2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C29H29ClN2O3/c1-31(2)26(33)19-32-17-24(28(34)20-10-5-3-6-11-20)27(22-14-9-15-23(30)16-22)25(18-32)29(35)21-12-7-4-8-13-21/h3-16,24-25,27H,17-19H2,1-2H3
InChIKeyJASPZNSBVTWOBC-UHFFFAOYSA-N
XLogP4.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 16725650
2-[(3R,5R)-3,5-dibenzoyl-4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 68881330
2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 68882314
2-[(3S,5R)-3,5-dibenzoyl-1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]benzoic acid
CID 91026743
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 90821158
2-[3,5-dibenzoyl-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 68883461
[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
[5-benzoyl-1-(2-hydroxyethyl)-4-(6-methyl-2-pyridinyl)piperidin-3-yl]-phenylmethanone;2-[(3R,5R)-3,5-dibenzoyl-4-(6-methyl-2-pyridinyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 69186322
2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide
CID 91393791
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450
[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 16725782

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide (CID 68880462) is 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC(C(=O)c2ccccc2)C(c2cccc(Cl)c2)C(C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is JASPZNSBVTWOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN2O3/c1-31(2)26(33)19-32-17-24(28(34)20-10-5-3-6-11-20)27(22-14-9-15-23(30)16-22)25(18-32)29(35)21-12-7-4-8-13-21/h3-16,24-25,27H,17-19H2,1-2H3.
What are the key properties of 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide?
2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 489.02 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 68880462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).