cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

C15H22N4O — CID 72888219

IUPACcyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(12-3-1-2-4-12)19-9-6-13(7-10-19)18-14-5-8-16-11-17-14/h5,8,11-13H,1-4,6-7,9-10H2,(H,16,17,18)
InChIKeyYTGOUYSVSFULLW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.07
Rot. Bonds3

About cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 72888219) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
PubChem CID72888219
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Namecyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(12-3-1-2-4-12)19-9-6-13(7-10-19)18-14-5-8-16-11-17-14/h5,8,11-13H,1-4,6-7,9-10H2,(H,16,17,18)
InChIKeyYTGOUYSVSFULLW-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (CID 72888219) is cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is YTGOUYSVSFULLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(12-3-1-2-4-12)19-9-6-13(7-10-19)18-14-5-8-16-11-17-14/h5,8,11-13H,1-4,6-7,9-10H2,(H,16,17,18).
What are the key properties of cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 72888219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).