8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C24H29ClN4O — CID 118730673

IUPAC8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCCCC3)cc1)CC2
InChIInChI=1S/C24H29ClN4O/c25-21-17-26-16-20(18-4-6-19(7-5-18)28-12-2-1-3-13-28)22(21)29-14-9-24(10-15-29)8-11-27-23(24)30/h4-7,16-17H,1-3,8-15H2,(H,27,30)
InChIKeyYZKFVNJEUKPDEX-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.50
Rot. Bonds3

About 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118730673) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118730673
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCCCC3)cc1)CC2
InChIInChI=1S/C24H29ClN4O/c25-21-17-26-16-20(18-4-6-19(7-5-18)28-12-2-1-3-13-28)22(21)29-14-9-24(10-15-29)8-11-27-23(24)30/h4-7,16-17H,1-3,8-15H2,(H,27,30)
InChIKeyYZKFVNJEUKPDEX-UHFFFAOYSA-N
XLogP4.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118730673) is 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCCCC3)cc1)CC2.
What is the InChIKey of 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YZKFVNJEUKPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c25-21-17-26-16-20(18-4-6-19(7-5-18)28-12-2-1-3-13-28)22(21)29-14-9-24(10-15-29)8-11-27-23(24)30/h4-7,16-17H,1-3,8-15H2,(H,27,30).
What are the key properties of 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 424.98 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(4-piperidin-1-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118730673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).