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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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).