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

C19H32N2O3 — CID 172884698

IUPACcyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCOC2(C1)CN(C1CCCC1)CCCO2
InChIInChI=1S/C19H32N2O3/c22-18(16-6-1-2-7-16)21-11-13-24-19(15-21)14-20(10-5-12-23-19)17-8-3-4-9-17/h16-17H,1-15H2
InChIKeyMMDCPBWKUDYPOP-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.40
Rot. Bonds2

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

cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (PubChem CID 172884698) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
PubChem CID172884698
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Namecyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(C1CCCC1)N1CCOC2(C1)CN(C1CCCC1)CCCO2
InChIInChI=1S/C19H32N2O3/c22-18(16-6-1-2-7-16)21-11-13-24-19(15-21)14-20(10-5-12-23-19)17-8-3-4-9-17/h16-17H,1-15H2
InChIKeyMMDCPBWKUDYPOP-UHFFFAOYSA-N
XLogP2.40
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884476
Cyclopentyl-[8-(1-fluorocyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884693
cyclopentyl-[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 129614130
cyclopentyl-[(2R)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 129614131
4-(Cyclopentylcarbonyl)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 131911447
Cyclopentyl(1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 172884474
Cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884671
Cyclopentyl-[8-(oxan-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884685
Cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
Cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884691
1-[4-(Cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 172884695

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The IUPAC name of cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (CID 172884698) is cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.
What is the SMILES notation for cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The canonical SMILES for cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is O=C(C1CCCC1)N1CCOC2(C1)CN(C1CCCC1)CCCO2.
What is the InChIKey of cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The InChIKey is MMDCPBWKUDYPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-18(16-6-1-2-7-16)21-11-13-24-19(15-21)14-20(10-5-12-23-19)17-8-3-4-9-17/h16-17H,1-15H2.
What are the key properties of cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone has a molecular weight of 336.48 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is sourced from PubChem (CID 172884698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).