N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride

C32H46Cl2N4O6S2 — CID 18539252

IUPACN-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C32H45ClN4O6S2.ClH/c1-44(39,40)35-18-12-28(13-19-35)32(38)37(30-5-2-4-29(33)25-30)15-3-14-34-16-10-27(11-17-34)24-26-6-8-31(9-7-26)45(41,42)36-20-22-43-23-21-36;/h2,4-9,25,27-28H,3,10-24H2,1H3;1H
InChIKeyFILMSPPPLZRWNK-UHFFFAOYSA-N
MW717.78 g/mol
LogP4.13
Rot. Bonds11

About N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride

N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 18539252) has the molecular formula C32H46Cl2N4O6S2 and a molecular weight of 717.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride
PubChem CID18539252
Molecular FormulaC32H46Cl2N4O6S2
Molecular Weight717.78 g/mol
Exact Mass716.22
IUPAC NameN-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride
SMILESCS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C32H45ClN4O6S2.ClH/c1-44(39,40)35-18-12-28(13-19-35)32(38)37(30-5-2-4-29(33)25-30)15-3-14-34-16-10-27(11-17-34)24-26-6-8-31(9-7-26)45(41,42)36-20-22-43-23-21-36;/h2,4-9,25,27-28H,3,10-24H2,1H3;1H
InChIKeyFILMSPPPLZRWNK-UHFFFAOYSA-N
XLogP4.13
TPSA107.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride (CID 18539252) is N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride is CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is FILMSPPPLZRWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45ClN4O6S2.ClH/c1-44(39,40)35-18-12-28(13-19-35)32(38)37(30-5-2-4-29(33)25-30)15-3-14-34-16-10-27(11-17-34)24-26-6-8-31(9-7-26)45(41,42)36-20-22-43-23-21-36;/h2,4-9,25,27-28H,3,10-24H2,1H3;1H.
What are the key properties of N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride?
N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 717.78 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 18539252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).