5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide

C22H36N4O2 — CID 90935112

IUPAC5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(OC2CCN(CCCc3ccc(C(N)=O)nc3)CC2)CC1
InChIInChI=1S/C22H36N4O2/c1-17(2)26-14-9-20(10-15-26)28-19-7-12-25(13-8-19)11-3-4-18-5-6-21(22(23)27)24-16-18/h5-6,16-17,19-20H,3-4,7-15H2,1-2H3,(H2,23,27)
InChIKeyZEAVLKRWLMDWKK-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.47
Rot. Bonds8

About 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide

5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide (PubChem CID 90935112) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide
PubChem CID90935112
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(OC2CCN(CCCc3ccc(C(N)=O)nc3)CC2)CC1
InChIInChI=1S/C22H36N4O2/c1-17(2)26-14-9-20(10-15-26)28-19-7-12-25(13-8-19)11-3-4-18-5-6-21(22(23)27)24-16-18/h5-6,16-17,19-20H,3-4,7-15H2,1-2H3,(H2,23,27)
InChIKeyZEAVLKRWLMDWKK-UHFFFAOYSA-N
XLogP2.47
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1835917
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CID 11588013
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CID 24756886
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CID 24756975
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CID 24757061
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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide (CID 90935112) is 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide is CC(C)N1CCC(OC2CCN(CCCc3ccc(C(N)=O)nc3)CC2)CC1.
What is the InChIKey of 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide?
The InChIKey is ZEAVLKRWLMDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-17(2)26-14-9-20(10-15-26)28-19-7-12-25(13-8-19)11-3-4-18-5-6-21(22(23)27)24-16-18/h5-6,16-17,19-20H,3-4,7-15H2,1-2H3,(H2,23,27).
What are the key properties of 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide?
5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 90935112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).