2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C21H32N4O — CID 70786979

IUPAC2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cncnc1N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C21H32N4O/c1-2-5-17-14-22-16-23-20(17)24-12-10-21(11-13-24)9-8-19(26)25(15-21)18-6-3-4-7-18/h14,16,18H,2-13,15H2,1H3
InChIKeyCMPMGFOIGUNGNO-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.58
Rot. Bonds4

About 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70786979) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70786979
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cncnc1N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C21H32N4O/c1-2-5-17-14-22-16-23-20(17)24-12-10-21(11-13-24)9-8-19(26)25(15-21)18-6-3-4-7-18/h14,16,18H,2-13,15H2,1H3
InChIKeyCMPMGFOIGUNGNO-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70786979) is 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1cncnc1N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CMPMGFOIGUNGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-2-5-17-14-22-16-23-20(17)24-12-10-21(11-13-24)9-8-19(26)25(15-21)18-6-3-4-7-18/h14,16,18H,2-13,15H2,1H3.
What are the key properties of 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70786979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).