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

C30H31ClN2O3 — CID 16725650

IUPAC2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1c(Cl)cccc1C1C(C(=O)c2ccccc2)CN(CC(=O)N(C)C)CC1C(=O)c1ccccc1
InChIInChI=1S/C30H31ClN2O3/c1-20-23(15-10-16-26(20)31)28-24(29(35)21-11-6-4-7-12-21)17-33(19-27(34)32(2)3)18-25(28)30(36)22-13-8-5-9-14-22/h4-16,24-25,28H,17-19H2,1-3H3
InChIKeyAQXZSJJAPIWPTH-UHFFFAOYSA-N
MW503.04 g/mol
LogP5.13
Rot. Bonds7

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

2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 16725650) has the molecular formula C30H31ClN2O3 and a molecular weight of 503.04 g/mol. Its IUPAC name is 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID16725650
Molecular FormulaC30H31ClN2O3
Molecular Weight503.04 g/mol
Exact Mass502.20
IUPAC Name2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1c(Cl)cccc1C1C(C(=O)c2ccccc2)CN(CC(=O)N(C)C)CC1C(=O)c1ccccc1
InChIInChI=1S/C30H31ClN2O3/c1-20-23(15-10-16-26(20)31)28-24(29(35)21-11-6-4-7-12-21)17-33(19-27(34)32(2)3)18-25(28)30(36)22-13-8-5-9-14-22/h4-16,24-25,28H,17-19H2,1-3H3
InChIKeyAQXZSJJAPIWPTH-UHFFFAOYSA-N
XLogP5.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.04
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide (CID 16725650) is 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide is Cc1c(Cl)cccc1C1C(C(=O)c2ccccc2)CN(CC(=O)N(C)C)CC1C(=O)c1ccccc1.
What is the InChIKey of 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is AQXZSJJAPIWPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O3/c1-20-23(15-10-16-26(20)31)28-24(29(35)21-11-6-4-7-12-21)17-33(19-27(34)32(2)3)18-25(28)30(36)22-13-8-5-9-14-22/h4-16,24-25,28H,17-19H2,1-3H3.
What are the key properties of 2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 503.04 g/mol, XLogP of 5.13, 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-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 16725650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).