cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C18H28N2O4 — CID 172884690

IUPACcyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CC1)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C18H28N2O4/c21-16(14-4-1-2-5-14)20-9-11-24-18(13-20)12-19(8-3-10-23-18)17(22)15-6-7-15/h14-15H,1-13H2
InChIKeyBAHNGDMQUJLRTN-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.39
Rot. Bonds2

About cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 172884690) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID172884690
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namecyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CC1)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C18H28N2O4/c21-16(14-4-1-2-5-14)20-9-11-24-18(13-20)12-19(8-3-10-23-18)17(22)15-6-7-15/h14-15H,1-13H2
InChIKeyBAHNGDMQUJLRTN-UHFFFAOYSA-N
XLogP1.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone with MolForge

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Related Compounds

cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 172884698
cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884691
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884683
cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
CID 172884724
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
aziridin-1-yl(cyclohexyl)methanone
CID 2309619

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 172884690) is cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(C1CC1)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2.
What is the InChIKey of cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is BAHNGDMQUJLRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c21-16(14-4-1-2-5-14)20-9-11-24-18(13-20)12-19(8-3-10-23-18)17(22)15-6-7-15/h14-15H,1-13H2.
What are the key properties of cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 336.43 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 172884690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).