N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C19H28ClN3O3S — CID 20967991

IUPACN-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H28ClN3O3S/c1-15-8-11-22(12-9-15)27(25,26)23-10-4-6-17(14-23)19(24)21-13-16-5-2-3-7-18(16)20/h2-3,5,7,15,17H,4,6,8-14H2,1H3,(H,21,24)
InChIKeyLZBDGHVTGVKVNU-UHFFFAOYSA-N
MW413.97 g/mol
LogP2.64
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 20967991) has the molecular formula C19H28ClN3O3S and a molecular weight of 413.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID20967991
Molecular FormulaC19H28ClN3O3S
Molecular Weight413.97 g/mol
Exact Mass413.15
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H28ClN3O3S/c1-15-8-11-22(12-9-15)27(25,26)23-10-4-6-17(14-23)19(24)21-13-16-5-2-3-7-18(16)20/h2-3,5,7,15,17H,4,6,8-14H2,1H3,(H,21,24)
InChIKeyLZBDGHVTGVKVNU-UHFFFAOYSA-N
XLogP2.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 20967991) is N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3Cl)C2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is LZBDGHVTGVKVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3S/c1-15-8-11-22(12-9-15)27(25,26)23-10-4-6-17(14-23)19(24)21-13-16-5-2-3-7-18(16)20/h2-3,5,7,15,17H,4,6,8-14H2,1H3,(H,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 413.97 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20967991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).