N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C19H28ClN3O3S — CID 3242949

IUPACN-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H28ClN3O3S/c20-18-6-4-16(5-7-18)8-11-21-19(24)17-9-14-23(15-10-17)27(25,26)22-12-2-1-3-13-22/h4-7,17H,1-3,8-15H2,(H,21,24)
InChIKeyHONBOHHEUASBNG-UHFFFAOYSA-N
MW413.97 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3242949) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3242949
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H28ClN3O3S/c20-18-6-4-16(5-7-18)8-11-21-19(24)17-9-14-23(15-10-17)27(25,26)22-12-2-1-3-13-22/h4-7,17H,1-3,8-15H2,(H,21,24)
InChIKeyHONBOHHEUASBNG-UHFFFAOYSA-N
XLogP2.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
Cambridge id 7028241
CID 1534372
N-(1-methyl-3-phenylpropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3241593
N-[2-(4-chlorophenyl)ethyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242081
N-[2-(4-chlorophenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3245010
1-[(4-chlorophenyl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 3889245
N~4~-(2-Chlorobenzyl)-1-(morpholinosulfonyl)-4-piperidinecarboxamide
CID 4064508
N-[(2-chloro-4-fluorophenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4293809
N-[(2-chloro-4-fluorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5165086
1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 15995005
N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 16034258

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3242949) is N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HONBOHHEUASBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c20-18-6-4-16(5-7-18)8-11-21-19(24)17-9-14-23(15-10-17)27(25,26)22-12-2-1-3-13-22/h4-7,17H,1-3,8-15H2,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 413.97 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3242949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).