[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone

C17H20N4O2 — CID 95111503

IUPAC[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C17H20N4O2/c22-17(12-6-8-23-10-12)21-7-2-3-13(9-21)20-16-14-4-1-5-15(14)18-11-19-16/h6,8,10-11,13H,1-5,7,9H2,(H,18,19,20)/t13-/m0/s1
InChIKeyIDEZCPUBKOYSRY-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.28
Rot. Bonds3

About [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone

[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 95111503) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID95111503
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C17H20N4O2/c22-17(12-6-8-23-10-12)21-7-2-3-13(9-21)20-16-14-4-1-5-15(14)18-11-19-16/h6,8,10-11,13H,1-5,7,9H2,(H,18,19,20)/t13-/m0/s1
InChIKeyIDEZCPUBKOYSRY-ZDUSSCGKSA-N
XLogP2.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95111508
[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95111509
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 71836280
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate
CID 71857671
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
furan-3-yl-[4-[(3R)-3-methoxypiperidin-1-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 95894359
4-[4-(cyclobutylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carbonyl]benzonitrile
CID 97404910
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 31660307
phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 125444803
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(3R)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366066

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone (CID 95111503) is [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC[C@H](Nc2ncnc3c2CCC3)C1.
What is the InChIKey of [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is IDEZCPUBKOYSRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(12-6-8-23-10-12)21-7-2-3-13(9-21)20-16-14-4-1-5-15(14)18-11-19-16/h6,8,10-11,13H,1-5,7,9H2,(H,18,19,20)/t13-/m0/s1.
What are the key properties of [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone?
[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 95111503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).