(5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C14H17Cl2N3O — CID 97154697

IUPAC(5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(Cc1c(Cl)cncc1Cl)C2
InChIInChI=1S/C14H17Cl2N3O/c15-11-6-17-7-12(16)10(11)8-19-5-3-14(9-19)2-1-4-18-13(14)20/h6-7H,1-5,8-9H2,(H,18,20)/t14-/m0/s1
InChIKeyQKKPHFXTHZIBQP-AWEZNQCLSA-N
MW314.22 g/mol
LogP2.49
Rot. Bonds2

About (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97154697) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97154697
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(Cc1c(Cl)cncc1Cl)C2
InChIInChI=1S/C14H17Cl2N3O/c15-11-6-17-7-12(16)10(11)8-19-5-3-14(9-19)2-1-4-18-13(14)20/h6-7H,1-5,8-9H2,(H,18,20)/t14-/m0/s1
InChIKeyQKKPHFXTHZIBQP-AWEZNQCLSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97154697) is (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1NCCC[C@@]12CCN(Cc1c(Cl)cncc1Cl)C2.
What is the InChIKey of (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QKKPHFXTHZIBQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c15-11-6-17-7-12(16)10(11)8-19-5-3-14(9-19)2-1-4-18-13(14)20/h6-7H,1-5,8-9H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 314.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(3,5-dichloro-4-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).