2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C25H31Cl2N3O2 — CID 56663270

IUPAC2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCN(C)CC1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H31Cl2N3O2/c1-29(2)17-20-11-13-30(14-12-20)25(32)23(15-18-3-7-21(26)8-4-18)28-24(31)16-19-5-9-22(27)10-6-19/h3-10,20,23H,11-17H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyUXZOCCSROTXLOC-HSZRJFAPSA-N
MW476.45 g/mol
LogP4.06
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide

2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 56663270) has the molecular formula C25H31Cl2N3O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID56663270
Molecular FormulaC25H31Cl2N3O2
Molecular Weight476.45 g/mol
Exact Mass475.18
IUPAC Name2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCN(C)CC1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H31Cl2N3O2/c1-29(2)17-20-11-13-30(14-12-20)25(32)23(15-18-3-7-21(26)8-4-18)28-24(31)16-19-5-9-22(27)10-6-19/h3-10,20,23H,11-17H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyUXZOCCSROTXLOC-HSZRJFAPSA-N
XLogP4.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 56663270) is 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide is CN(C)CC1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is UXZOCCSROTXLOC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31Cl2N3O2/c1-29(2)17-20-11-13-30(14-12-20)25(32)23(15-18-3-7-21(26)8-4-18)28-24(31)16-19-5-9-22(27)10-6-19/h3-10,20,23H,11-17H2,1-2H3,(H,28,31)/t23-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 476.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 56663270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).