8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C24H30ClN5O — CID 91928418

IUPAC8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCN(c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)CC1
InChIInChI=1S/C24H30ClN5O/c1-28-12-14-29(15-13-28)19-4-2-18(3-5-19)20-16-26-17-21(25)22(20)30-10-7-24(8-11-30)6-9-27-23(24)31/h2-5,16-17H,6-15H2,1H3,(H,27,31)
InChIKeyXMNZHSUUFRYKNM-UHFFFAOYSA-N
MW439.99 g/mol
LogP3.26
Rot. Bonds3

About 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 91928418) has the molecular formula C24H30ClN5O and a molecular weight of 439.99 g/mol. Its IUPAC name is 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID91928418
Molecular FormulaC24H30ClN5O
Molecular Weight439.99 g/mol
Exact Mass439.21
IUPAC Name8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCN(c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)CC1
InChIInChI=1S/C24H30ClN5O/c1-28-12-14-29(15-13-28)19-4-2-18(3-5-19)20-16-26-17-21(25)22(20)30-10-7-24(8-11-30)6-9-27-23(24)31/h2-5,16-17H,6-15H2,1H3,(H,27,31)
InChIKeyXMNZHSUUFRYKNM-UHFFFAOYSA-N
XLogP3.26
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 91928418) is 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is CN1CCN(c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)CC1.
What is the InChIKey of 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XMNZHSUUFRYKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O/c1-28-12-14-29(15-13-28)19-4-2-18(3-5-19)20-16-26-17-21(25)22(20)30-10-7-24(8-11-30)6-9-27-23(24)31/h2-5,16-17H,6-15H2,1H3,(H,27,31).
What are the key properties of 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 439.99 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 91928418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).