morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone

C20H28N6O2 — CID 20912582

IUPACmorpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C20H28N6O2/c27-20(25-10-12-28-13-11-25)15-5-8-24(9-6-15)18-17-19(22-14-21-18)26-7-3-1-2-4-16(26)23-17/h14-15H,1-13H2
InChIKeySFTGOLREMXDCEU-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.63
Rot. Bonds2

About morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone

morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone (PubChem CID 20912582) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
PubChem CID20912582
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Namemorpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C20H28N6O2/c27-20(25-10-12-28-13-11-25)15-5-8-24(9-6-15)18-17-19(22-14-21-18)26-7-3-1-2-4-16(26)23-17/h14-15H,1-13H2
InChIKeySFTGOLREMXDCEU-UHFFFAOYSA-N
XLogP1.63
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

piperidin-1-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
CID 24792081
3,4-dihydro-2H-quinolin-1-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
CID 20912573
N-(4-fluorophenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912439
1-[4-[4-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 20912413
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912538
(4-propylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-3-yl]methanone
CID 20912386
morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
N-(3,4-dimethylphenyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912547
N-(pyridin-3-ylmethyl)-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912470
(4-benzylpiperidin-1-yl)-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-3-yl]methanone
CID 20912384
ethyl 4-[[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 20912523
N-(4-fluorophenyl)-N-propyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912588

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone (CID 20912582) is morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone?
The InChIKey is SFTGOLREMXDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-20(25-10-12-28-13-11-25)15-5-8-24(9-6-15)18-17-19(22-14-21-18)26-7-3-1-2-4-16(26)23-17/h14-15H,1-13H2.
What are the key properties of morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone?
morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 20912582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).