1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide

C16H23ClN4O4S — CID 70111198

IUPAC1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H23ClN4O4S/c17-12-4-5-15(19-11-12)25-13-6-9-20(10-7-13)26(23,24)21-8-2-1-3-14(21)16(18)22/h4-5,11,13-14H,1-3,6-10H2,(H2,18,22)
InChIKeyRTBYUMKWJZXXDV-UHFFFAOYSA-N
MW402.90 g/mol
LogP1.16
Rot. Bonds5

About 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide

1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide (PubChem CID 70111198) has the molecular formula C16H23ClN4O4S and a molecular weight of 402.90 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
PubChem CID70111198
Molecular FormulaC16H23ClN4O4S
Molecular Weight402.90 g/mol
Exact Mass402.11
IUPAC Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H23ClN4O4S/c17-12-4-5-15(19-11-12)25-13-6-9-20(10-7-13)26(23,24)21-8-2-1-3-14(21)16(18)22/h4-5,11,13-14H,1-3,6-10H2,(H2,18,22)
InChIKeyRTBYUMKWJZXXDV-UHFFFAOYSA-N
XLogP1.16
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-Chloro-pyridin-2-yloxy)-piperidine-1-sulfonylamino]-N-hydroxy-3-methyl-butyramide
CID 22615571
N-(1-ethylpiperidin-4-yl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide
CID 72111746
4-[2-[3-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]propyl]morpholine
CID 75442498
(2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one
CID 75449562
4-azido-5-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-N-methyl-5-oxopentanamide
CID 176431848
(4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
CID 71798940
N-(2-(4-((5-chloropyridin-2-yl)oxy)piperidin-1-yl)-2-oxoethyl)-N-methylmethanesulfonamide
CID 71798950
(4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)(cyclohex-3-en-1-yl)methanone
CID 71798951
N-hydroxy-2-(R)-{[4-(5-chloropyridin-2-yl-oxy)piperidine-1-sulfonyl]amino}-3-methylbutyramide
CID 10069936
2-[3-[(5-Chloro-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 11572942
methyl (R)-2-{[4-(5-chloropyridin-2-yloxy)piperidine-1-sulfonyl]amino}-3-methylbutyrate
CID 15896080
5-Chloro-2-(1-piperidin-4-ylpiperidin-4-yl)oxypyridine
CID 17963253

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
The IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide (CID 70111198) is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
The canonical SMILES for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide is NC(=O)C1CCCCN1S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
The InChIKey is RTBYUMKWJZXXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O4S/c17-12-4-5-15(19-11-12)25-13-6-9-20(10-7-13)26(23,24)21-8-2-1-3-14(21)16(18)22/h4-5,11,13-14H,1-3,6-10H2,(H2,18,22).
What are the key properties of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide?
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 70111198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).