2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

C20H28FN3O2 — CID 56888414

IUPAC2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(C1CC2(CCNCC2)CN1)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2/c21-16-3-1-2-4-18(16)26-15-5-11-24(12-6-15)19(25)17-13-20(14-23-17)7-9-22-10-8-20/h1-4,15,17,22-23H,5-14H2
InChIKeyAQPOXHNWBHBTHV-UHFFFAOYSA-N
MW361.46 g/mol
LogP1.93
Rot. Bonds3

About 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 56888414) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID56888414
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(C1CC2(CCNCC2)CN1)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C20H28FN3O2/c21-16-3-1-2-4-18(16)26-15-5-11-24(12-6-15)19(25)17-13-20(14-23-17)7-9-22-10-8-20/h1-4,15,17,22-23H,5-14H2
InChIKeyAQPOXHNWBHBTHV-UHFFFAOYSA-N
XLogP1.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 56914258
(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 86285844
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 95729563
[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95725520
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
2,8-diazaspiro[4.5]decan-3-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56905339
(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038042
[4-(2,4-difluorophenoxy)piperidin-1-yl]-morpholin-2-ylmethanone
CID 119736591
6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]piperazin-2-one
CID 70743927
4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 95722186
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724857

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (CID 56888414) is 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is O=C(C1CC2(CCNCC2)CN1)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is AQPOXHNWBHBTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c21-16-3-1-2-4-18(16)26-15-5-11-24(12-6-15)19(25)17-13-20(14-23-17)7-9-22-10-8-20/h1-4,15,17,22-23H,5-14H2.
What are the key properties of 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 361.46 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 56888414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).