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

C20H35N3O3 — CID 172884691

IUPACcyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESCN1CCC(N2CCCOC3(CN(C(=O)C4CCCC4)CCO3)C2)CC1
InChIInChI=1S/C20H35N3O3/c1-21-10-7-18(8-11-21)22-9-4-13-25-20(15-22)16-23(12-14-26-20)19(24)17-5-2-3-6-17/h17-18H,2-16H2,1H3
InChIKeyORSARULRGKJRIO-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.55
Rot. Bonds2

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

cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 172884691) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID172884691
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Namecyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESCN1CCC(N2CCCOC3(CN(C(=O)C4CCCC4)CCO3)C2)CC1
InChIInChI=1S/C20H35N3O3/c1-21-10-7-18(8-11-21)22-9-4-13-25-20(15-22)16-23(12-14-26-20)19(24)17-5-2-3-6-17/h17-18H,2-16H2,1H3
InChIKeyORSARULRGKJRIO-UHFFFAOYSA-N
XLogP1.55
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884683
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884464
[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone
CID 172884467
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 110094675
cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 172884691) is cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is CN1CCC(N2CCCOC3(CN(C(=O)C4CCCC4)CCO3)C2)CC1.
What is the InChIKey of cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is ORSARULRGKJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-21-10-7-18(8-11-21)22-9-4-13-25-20(15-22)16-23(12-14-26-20)19(24)17-5-2-3-6-17/h17-18H,2-16H2,1H3.
What are the key properties of cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 365.52 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 172884691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).