cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone

C26H36FN3O3 — CID 42882205

IUPACcyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone
SMILESCC1CCC2(CC1)OCC(C(=O)N1CCN(c3ccccc3F)CC1)N2C(=O)C1CCCC1
InChIInChI=1S/C26H36FN3O3/c1-19-10-12-26(13-11-19)30(24(31)20-6-2-3-7-20)23(18-33-26)25(32)29-16-14-28(15-17-29)22-9-5-4-8-21(22)27/h4-5,8-9,19-20,23H,2-3,6-7,10-18H2,1H3
InChIKeyVKOSKABNSNURLY-UHFFFAOYSA-N
MW457.59 g/mol
LogP3.80
Rot. Bonds3

About cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone

cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone (PubChem CID 42882205) has the molecular formula C26H36FN3O3 and a molecular weight of 457.59 g/mol. Its IUPAC name is cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone
PubChem CID42882205
Molecular FormulaC26H36FN3O3
Molecular Weight457.59 g/mol
Exact Mass457.27
IUPAC Namecyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone
SMILESCC1CCC2(CC1)OCC(C(=O)N1CCN(c3ccccc3F)CC1)N2C(=O)C1CCCC1
InChIInChI=1S/C26H36FN3O3/c1-19-10-12-26(13-11-19)30(24(31)20-6-2-3-7-20)23(18-33-26)25(32)29-16-14-28(15-17-29)22-9-5-4-8-21(22)27/h4-5,8-9,19-20,23H,2-3,6-7,10-18H2,1H3
InChIKeyVKOSKABNSNURLY-UHFFFAOYSA-N
XLogP3.80
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.59
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 46110821
[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 93019308
1-[(3R)-4-benzoyl-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 93019050
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
1-[4-[(3S)-4-(3-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl]ethanone
CID 93144477
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144516
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 93019327

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone?
The IUPAC name of cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone (CID 42882205) is cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone is CC1CCC2(CC1)OCC(C(=O)N1CCN(c3ccccc3F)CC1)N2C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone?
The InChIKey is VKOSKABNSNURLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O3/c1-19-10-12-26(13-11-19)30(24(31)20-6-2-3-7-20)23(18-33-26)25(32)29-16-14-28(15-17-29)22-9-5-4-8-21(22)27/h4-5,8-9,19-20,23H,2-3,6-7,10-18H2,1H3.
What are the key properties of cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone?
cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone has a molecular weight of 457.59 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-8-methyl-1-oxa-4-azaspiro[4.5]decan-4-yl]methanone is sourced from PubChem (CID 42882205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).