cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C19H28N4O2 — CID 134074141

IUPACcyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(COCCN(c3ncccn3)C2)C1
InChIInChI=1S/C19H28N4O2/c24-17(16-5-1-2-6-16)22-10-3-7-19(13-22)14-23(11-12-25-15-19)18-20-8-4-9-21-18/h4,8-9,16H,1-3,5-7,10-15H2
InChIKeySWXNCRUBLKPCJM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.11
Rot. Bonds2

About cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 134074141) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
PubChem CID134074141
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Namecyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(COCCN(c3ncccn3)C2)C1
InChIInChI=1S/C19H28N4O2/c24-17(16-5-1-2-6-16)22-10-3-7-19(13-22)14-23(11-12-25-15-19)18-20-8-4-9-21-18/h4,8-9,16H,1-3,5-7,10-15H2
InChIKeySWXNCRUBLKPCJM-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
3-pyridin-3-yl-1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398096
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(5-methyl-1H-pyrazol-3-yl)-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494780
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398083
11-(cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
morpholin-4-yl-[(5S)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450246
pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134070411

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The IUPAC name of cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 134074141) is cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The canonical SMILES for cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is O=C(C1CCCC1)N1CCCC2(COCCN(c3ncccn3)C2)C1.
What is the InChIKey of cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The InChIKey is SWXNCRUBLKPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-17(16-5-1-2-6-16)22-10-3-7-19(13-22)14-23(11-12-25-15-19)18-20-8-4-9-21-18/h4,8-9,16H,1-3,5-7,10-15H2.
What are the key properties of cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 134074141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).