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

C29H30N2O4 — CID 68882314

IUPAC2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccccc2O)[C@@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C29H30N2O4/c1-30(2)26(33)19-31-17-23(28(34)20-11-5-3-6-12-20)27(22-15-9-10-16-25(22)32)24(18-31)29(35)21-13-7-4-8-14-21/h3-16,23-24,27,32H,17-19H2,1-2H3/t23-,24-/m0/s1
InChIKeyDIDKMPHGHUKQGR-ZEQRLZLVSA-N
MW470.57 g/mol
LogP3.88
Rot. Bonds7

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

2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 68882314) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID68882314
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccccc2O)[C@@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C29H30N2O4/c1-30(2)26(33)19-31-17-23(28(34)20-11-5-3-6-12-20)27(22-15-9-10-16-25(22)32)24(18-31)29(35)21-13-7-4-8-14-21/h3-16,23-24,27,32H,17-19H2,1-2H3/t23-,24-/m0/s1
InChIKeyDIDKMPHGHUKQGR-ZEQRLZLVSA-N
XLogP3.88
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide (CID 68882314) is 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccccc2O)[C@@H](C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is DIDKMPHGHUKQGR-ZEQRLZLVSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-30(2)26(33)19-31-17-23(28(34)20-11-5-3-6-12-20)27(22-15-9-10-16-25(22)32)24(18-31)29(35)21-13-7-4-8-14-21/h3-16,23-24,27,32H,17-19H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide?
2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 470.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 68882314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).