1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide

C19H26ClN3O5S — CID 1093373

IUPAC1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Cl
InChIInChI=1S/C19H26ClN3O5S/c1-28-17-3-2-15(12-16(17)20)29(26,27)23-10-6-14(7-11-23)19(25)22-8-4-13(5-9-22)18(21)24/h2-3,12-14H,4-11H2,1H3,(H2,21,24)
InChIKeyNEABEIGIIOCBQJ-UHFFFAOYSA-N
MW443.95 g/mol
LogP1.47
Rot. Bonds5

About 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 1093373) has the molecular formula C19H26ClN3O5S and a molecular weight of 443.95 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID1093373
Molecular FormulaC19H26ClN3O5S
Molecular Weight443.95 g/mol
Exact Mass443.13
IUPAC Name1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Cl
InChIInChI=1S/C19H26ClN3O5S/c1-28-17-3-2-15(12-16(17)20)29(26,27)23-10-6-14(7-11-23)19(25)22-8-4-13(5-9-22)18(21)24/h2-3,12-14H,4-11H2,1H3,(H2,21,24)
InChIKeyNEABEIGIIOCBQJ-UHFFFAOYSA-N
XLogP1.47
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
CID 126397233
[4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797098
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 126395426
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 7368559
[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 2983595
1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 28591148
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 126363125
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100799999
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 100800008

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide (CID 1093373) is 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is NEABEIGIIOCBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O5S/c1-28-17-3-2-15(12-16(17)20)29(26,27)23-10-6-14(7-11-23)19(25)22-8-4-13(5-9-22)18(21)24/h2-3,12-14H,4-11H2,1H3,(H2,21,24).
What are the key properties of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 443.95 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 1093373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).