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

C18H26ClN3O3S — CID 3245268

IUPACN-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H26ClN3O3S/c19-17-7-3-2-6-16(17)14-20-18(23)15-8-12-22(13-9-15)26(24,25)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2,(H,20,23)
InChIKeyYYGDNLXLRDARSJ-UHFFFAOYSA-N
MW399.94 g/mol
LogP2.40
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3245268) has the molecular formula C18H26ClN3O3S and a molecular weight of 399.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3245268
Molecular FormulaC18H26ClN3O3S
Molecular Weight399.94 g/mol
Exact Mass399.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H26ClN3O3S/c19-17-7-3-2-6-16(17)14-20-18(23)15-8-12-22(13-9-15)26(24,25)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2,(H,20,23)
InChIKeyYYGDNLXLRDARSJ-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N1-(2,4-dichlorobenzyl)piperidine-1,4-dicarboxamide
CID 46224990
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4877450
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
Cambridge id 7028241
CID 1534372
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-(2-chlorobenzyl)-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 3240083
N-[2-(4-chlorophenyl)ethyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242081
1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
CID 3242107

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3245268) is N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YYGDNLXLRDARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3S/c19-17-7-3-2-6-16(17)14-20-18(23)15-8-12-22(13-9-15)26(24,25)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 399.94 g/mol, XLogP of 2.40, 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-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3245268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).