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

C19H26ClN3O5S — CID 126397233

IUPAC1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C(N)=O)CC3)C2)cc1Cl
InChIInChI=1S/C19H26ClN3O5S/c1-28-17-5-4-15(11-16(17)20)29(26,27)23-8-2-3-14(12-23)19(25)22-9-6-13(7-10-22)18(21)24/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H2,21,24)/t14-/m1/s1
InChIKeySUOMMFJQGOGKRF-CQSZACIVSA-N
MW443.95 g/mol
LogP1.47
Rot. Bonds5

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

1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 126397233) has the molecular formula C19H26ClN3O5S and a molecular weight of 443.95 g/mol. Its IUPAC name is 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID126397233
Molecular FormulaC19H26ClN3O5S
Molecular Weight443.95 g/mol
Exact Mass443.13
IUPAC Name1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C(N)=O)CC3)C2)cc1Cl
InChIInChI=1S/C19H26ClN3O5S/c1-28-17-5-4-15(11-16(17)20)29(26,27)23-8-2-3-14(12-23)19(25)22-9-6-13(7-10-22)18(21)24/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H2,21,24)/t14-/m1/s1
InChIKeySUOMMFJQGOGKRF-CQSZACIVSA-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

[(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-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373
[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 2983595
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 126392197
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 41302656
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 3969532
[(3S)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 126396443
[4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797098
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
(3R)-N-tert-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302661

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide (CID 126397233) is 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C(N)=O)CC3)C2)cc1Cl.
What is the InChIKey of 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is SUOMMFJQGOGKRF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26ClN3O5S/c1-28-17-5-4-15(11-16(17)20)29(26,27)23-8-2-3-14(12-23)19(25)22-9-6-13(7-10-22)18(21)24/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H2,21,24)/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide?
1-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-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-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 126397233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).