2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

C19H28N4O — CID 97449802

IUPAC2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCC3(CCN(CC4CCCC4)C3=O)CC2)nc1
InChIInChI=1S/C19H28N4O/c1-15-12-20-18(21-13-15)22-9-6-19(7-10-22)8-11-23(17(19)24)14-16-4-2-3-5-16/h12-13,16H,2-11,14H2,1H3
InChIKeyXVVHNEDRMAFOEV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.79
Rot. Bonds3

About 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449802) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449802
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCC3(CCN(CC4CCCC4)C3=O)CC2)nc1
InChIInChI=1S/C19H28N4O/c1-15-12-20-18(21-13-15)22-9-6-19(7-10-22)8-11-23(17(19)24)14-16-4-2-3-5-16/h12-13,16H,2-11,14H2,1H3
InChIKeyXVVHNEDRMAFOEV-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449802) is 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(N2CCC3(CCN(CC4CCCC4)C3=O)CC2)nc1.
What is the InChIKey of 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XVVHNEDRMAFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-12-20-18(21-13-15)22-9-6-19(7-10-22)8-11-23(17(19)24)14-16-4-2-3-5-16/h12-13,16H,2-11,14H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 328.46 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).