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

C19H28N4O3S — CID 92561658

IUPAC(4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1cccc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@]23CCCC(=O)N3)n1
InChIInChI=1S/C19H28N4O3S/c1-15-7-5-8-17(20-15)16-13-23(14-19(16)10-6-9-18(24)21-19)27(25,26)22-11-3-2-4-12-22/h5,7-8,16H,2-4,6,9-14H2,1H3,(H,21,24)/t16-,19+/m0/s1
InChIKeyLZSAAPOFRRZIBZ-QFBILLFUSA-N
MW392.53 g/mol
LogP1.56
Rot. Bonds3

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

(4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92561658) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92561658
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name(4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1cccc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@]23CCCC(=O)N3)n1
InChIInChI=1S/C19H28N4O3S/c1-15-7-5-8-17(20-15)16-13-23(14-19(16)10-6-9-18(24)21-19)27(25,26)22-11-3-2-4-12-22/h5,7-8,16H,2-4,6,9-14H2,1H3,(H,21,24)/t16-,19+/m0/s1
InChIKeyLZSAAPOFRRZIBZ-QFBILLFUSA-N
XLogP1.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one (CID 92561658) is (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one is Cc1cccc([C@@H]2CN(S(=O)(=O)N3CCCCC3)C[C@]23CCCC(=O)N3)n1.
What is the InChIKey of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is LZSAAPOFRRZIBZ-QFBILLFUSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-15-7-5-8-17(20-15)16-13-23(14-19(16)10-6-9-18(24)21-19)27(25,26)22-11-3-2-4-12-22/h5,7-8,16H,2-4,6,9-14H2,1H3,(H,21,24)/t16-,19+/m0/s1.
What are the key properties of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 392.53 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(6-methyl-2-pyridinyl)-2-piperidin-1-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92561658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).