(4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one

C18H26N4O3S — CID 92570749

IUPAC(4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(S(=O)(=O)N3CCCCC3)C[C@H]2c2cccnc2)N1
InChIInChI=1S/C18H26N4O3S/c23-17-7-4-8-18(20-17)14-22(13-16(18)15-6-5-9-19-12-15)26(24,25)21-10-2-1-3-11-21/h5-6,9,12,16H,1-4,7-8,10-11,13-14H2,(H,20,23)/t16-,18+/m0/s1
InChIKeyPVFKHSSCLULWBN-FUHWJXTLSA-N
MW378.50 g/mol
LogP1.25
Rot. Bonds3

About (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92570749) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92570749
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name(4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(S(=O)(=O)N3CCCCC3)C[C@H]2c2cccnc2)N1
InChIInChI=1S/C18H26N4O3S/c23-17-7-4-8-18(20-17)14-22(13-16(18)15-6-5-9-19-12-15)26(24,25)21-10-2-1-3-11-21/h5-6,9,12,16H,1-4,7-8,10-11,13-14H2,(H,20,23)/t16-,18+/m0/s1
InChIKeyPVFKHSSCLULWBN-FUHWJXTLSA-N
XLogP1.25
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one (CID 92570749) is (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(S(=O)(=O)N3CCCCC3)C[C@H]2c2cccnc2)N1.
What is the InChIKey of (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is PVFKHSSCLULWBN-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H26N4O3S/c23-17-7-4-8-18(20-17)14-22(13-16(18)15-6-5-9-19-12-15)26(24,25)21-10-2-1-3-11-21/h5-6,9,12,16H,1-4,7-8,10-11,13-14H2,(H,20,23)/t16-,18+/m0/s1.
What are the key properties of (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 378.50 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92570749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).