[(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone

C32H36Cl2N2O — CID 15406580

IUPAC[(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@](CCCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C32H36Cl2N2O/c33-29-14-13-28(23-30(29)34)32(18-8-20-36(24-32)31(37)27-11-5-2-6-12-27)17-7-19-35-21-15-26(16-22-35)25-9-3-1-4-10-25/h1-6,9-14,23,26H,7-8,15-22,24H2/t32-/m0/s1
InChIKeyNAUATCDYOJTGNE-YTTGMZPUSA-N
MW535.56 g/mol
LogP7.83
Rot. Bonds7

About [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone

[(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone (PubChem CID 15406580) has the molecular formula C32H36Cl2N2O and a molecular weight of 535.56 g/mol. Its IUPAC name is [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
PubChem CID15406580
Molecular FormulaC32H36Cl2N2O
Molecular Weight535.56 g/mol
Exact Mass534.22
IUPAC Name[(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@](CCCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C32H36Cl2N2O/c33-29-14-13-28(23-30(29)34)32(18-8-20-36(24-32)31(37)27-11-5-2-6-12-27)17-7-19-35-21-15-26(16-22-35)25-9-3-1-4-10-25/h1-6,9-14,23,26H,7-8,15-22,24H2/t32-/m0/s1
InChIKeyNAUATCDYOJTGNE-YTTGMZPUSA-N
XLogP7.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.56
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3,4-dichlorophenyl)-3-[3-(4-methyl-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
CID 21300148
1-[3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-3-methylbut-2-en-1-one
CID 100991092
[3-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)piperidin-1-yl]-phenylmethanone
CID 22741724
3-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 23294214
N-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide;hydrate;hydrochloride
CID 139678217
[3-(3,4-dichlorophenyl)-3-[3-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]piperidin-1-yl]-pyridin-4-ylmethanone;trihydrate;dihydrochloride
CID 22741815
[3-(3,4-dichlorophenyl)-3-[3-[4-[methyl(pentyl)amino]-4-phenylpiperidin-1-yl]propyl]piperidin-1-yl]-phenylmethanone
CID 57095419
2-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]oxyethyl acetate;hydrochloride
CID 22741788
[3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]piperidin-1-yl]-phenylmethanone
CID 54102650
[3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]azepan-1-yl]-phenylmethanone
CID 22741745
[3-[3-[2-(benzenesulfonylmethyl)-4-hydroxypiperidin-1-yl]propyl]-3-(3,4-dichlorophenyl)piperidin-1-yl]-phenylmethanone
CID 18177166
[3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
CID 10279216

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone (CID 15406580) is [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC[C@](CCCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is NAUATCDYOJTGNE-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H36Cl2N2O/c33-29-14-13-28(23-30(29)34)32(18-8-20-36(24-32)31(37)27-11-5-2-6-12-27)17-7-19-35-21-15-26(16-22-35)25-9-3-1-4-10-25/h1-6,9-14,23,26H,7-8,15-22,24H2/t32-/m0/s1.
What are the key properties of [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 535.56 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 15406580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).