(2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride

C31H43Cl4N3O — CID 42600572

IUPAC(2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(C(Cc1ccc(Cl)cc1Cl)N1CCCCC1)N1CCC(c2ccccc2CCN2CCCC2)CC1
InChIInChI=1S/C31H41Cl2N3O.2ClH/c32-27-11-10-26(29(33)23-27)22-30(35-17-4-1-5-18-35)31(37)36-20-13-25(14-21-36)28-9-3-2-8-24(28)12-19-34-15-6-7-16-34;;/h2-3,8-11,23,25,30H,1,4-7,12-22H2;2*1H
InChIKeyRUEKBJRLFHCXDF-UHFFFAOYSA-N
MW615.52 g/mol
LogP7.28
Rot. Bonds8

About (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride

(2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 42600572) has the molecular formula C31H43Cl4N3O and a molecular weight of 615.52 g/mol. Its IUPAC name is (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID42600572
Molecular FormulaC31H43Cl4N3O
Molecular Weight615.52 g/mol
Exact Mass613.22
IUPAC Name(2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(C(Cc1ccc(Cl)cc1Cl)N1CCCCC1)N1CCC(c2ccccc2CCN2CCCC2)CC1
InChIInChI=1S/C31H41Cl2N3O.2ClH/c32-27-11-10-26(29(33)23-27)22-30(35-17-4-1-5-18-35)31(37)36-20-13-25(14-21-36)28-9-3-2-8-24(28)12-19-34-15-6-7-16-34;;/h2-3,8-11,23,25,30H,1,4-7,12-22H2;2*1H
InChIKeyRUEKBJRLFHCXDF-UHFFFAOYSA-N
XLogP7.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.52
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[4-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]piperidin-1-yl]-3-(2,4-dichlorophenyl)-2-piperidin-1-ylpropan-1-one
CID 42600571
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;hydrochloride
CID 24831935
(2R)-2-amino-3-(2,4-dichlorophenyl)-1-[4-[4,5-difluoro-2-(2-piperidin-1-ylethoxy)phenyl]piperidin-1-yl]propan-1-one
CID 71171049
1-[4-[2-(2,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 113075198
N-[2-[4-[4-chloro-2-(3-pyrrolidin-1-ylpropyl)phenyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxamide;2,4-dichloro-1-methylbenzene
CID 143553451
(2R)-1-[4-[4-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]piperidin-1-yl]-3-(2,4-dichlorophenyl)-2-[(6-methyl-2-pyridinyl)amino]propan-1-one;formic acid
CID 25175589
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;dihydrochloride
CID 42630199
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93492390
N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
CID 42643837
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride (CID 42600572) is (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.O=C(C(Cc1ccc(Cl)cc1Cl)N1CCCCC1)N1CCC(c2ccccc2CCN2CCCC2)CC1.
What is the InChIKey of (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is RUEKBJRLFHCXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41Cl2N3O.2ClH/c32-27-11-10-26(29(33)23-27)22-30(35-17-4-1-5-18-35)31(37)36-20-13-25(14-21-36)28-9-3-2-8-24(28)12-19-34-15-6-7-16-34;;/h2-3,8-11,23,25,30H,1,4-7,12-22H2;2*1H.
What are the key properties of (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride?
(2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 615.52 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dichlorophenyl)-2-piperidin-1-yl-1-[4-[2-(2-pyrrolidin-1-ylethyl)phenyl]piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 42600572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).