8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol

C25H36N6O — CID 138534482

IUPAC8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(N3CCNCC3)nc1)C(O)N2
InChIInChI=1S/C25H36N6O/c1-29(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)19-31(23(32)28-24)21-8-9-22(27-18-21)30-16-14-26-15-17-30/h3-9,18,23,26,28,32H,10-17,19H2,1-2H3
InChIKeyQHAGSBCDZXLBMD-UHFFFAOYSA-N
MW436.60 g/mol
LogP1.95
Rot. Bonds4

About 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol

8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 138534482) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol
PubChem CID138534482
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(N3CCNCC3)nc1)C(O)N2
InChIInChI=1S/C25H36N6O/c1-29(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)19-31(23(32)28-24)21-8-9-22(27-18-21)30-16-14-26-15-17-30/h3-9,18,23,26,28,32H,10-17,19H2,1-2H3
InChIKeyQHAGSBCDZXLBMD-UHFFFAOYSA-N
XLogP1.95
TPSA66.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol?
The IUPAC name of 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol (CID 138534482) is 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(N3CCNCC3)nc1)C(O)N2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol?
The InChIKey is QHAGSBCDZXLBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-29(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)19-31(23(32)28-24)21-8-9-22(27-18-21)30-16-14-26-15-17-30/h3-9,18,23,26,28,32H,10-17,19H2,1-2H3.
What are the key properties of 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol?
8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 436.60 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 138534482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).