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

C17H24N4O2 — CID 71836280

IUPAC[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C17H24N4O2/c22-17(15-5-2-10-23-15)21-8-6-12(7-9-21)20-16-13-3-1-4-14(13)18-11-19-16/h11-12,15H,1-10H2,(H,18,19,20)
InChIKeyQHRPDDFGYDARRU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.55
Rot. Bonds3

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

[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 71836280) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID71836280
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C17H24N4O2/c22-17(15-5-2-10-23-15)21-8-6-12(7-9-21)20-16-13-3-1-4-14(13)18-11-19-16/h11-12,15H,1-10H2,(H,18,19,20)
InChIKeyQHRPDDFGYDARRU-UHFFFAOYSA-N
XLogP1.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)piperidine-1-carboxylate
CID 71857671
[(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
[(2S)-oxolan-2-yl]-(4-phenyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 124788089
1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone
CID 95207897
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103889241
(4-methyl-1,3-oxazol-5-yl)-[4-(oxan-3-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 56884367

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone (CID 71836280) is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(Nc2ncnc3c2CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is QHRPDDFGYDARRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-17(15-5-2-10-23-15)21-8-6-12(7-9-21)20-16-13-3-1-4-14(13)18-11-19-16/h11-12,15H,1-10H2,(H,18,19,20).
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 316.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 71836280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).