1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone

C15H22N4O2 — CID 71836281

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C15H22N4O2/c1-21-9-14(20)19-7-5-11(6-8-19)18-15-12-3-2-4-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyIQNZALSFBWCNSL-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.01
Rot. Bonds4

About 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 71836281) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID71836281
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C15H22N4O2/c1-21-9-14(20)19-7-5-11(6-8-19)18-15-12-3-2-4-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyIQNZALSFBWCNSL-UHFFFAOYSA-N
XLogP1.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone (CID 71836281) is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(Nc2ncnc3c2CCC3)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is IQNZALSFBWCNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-9-14(20)19-7-5-11(6-8-19)18-15-12-3-2-4-13(12)16-10-17-15/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 290.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 71836281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).