N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C23H30F3N3O5 — CID 155868295

IUPACN-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C21H29N3O3.C2HF3O2/c1-27-14-13-24-12-10-21(24)9-2-11-23(15-21)20(26)17-5-7-18(8-6-17)22-19(25)16-3-4-16;3-2(4,5)1(6)7/h5-8,16H,2-4,9-15H2,1H3,(H,22,25);(H,6,7)
InChIKeyMEVGYTRBQRBQSN-UHFFFAOYSA-N
MW485.50 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155868295) has the molecular formula C23H30F3N3O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155868295
Molecular FormulaC23H30F3N3O5
Molecular Weight485.50 g/mol
Exact Mass485.21
IUPAC NameN-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C21H29N3O3.C2HF3O2/c1-27-14-13-24-12-10-21(24)9-2-11-23(15-21)20(26)17-5-7-18(8-6-17)22-19(25)16-3-4-16;3-2(4,5)1(6)7/h5-8,16H,2-4,9-15H2,1H3,(H,22,25);(H,6,7)
InChIKeyMEVGYTRBQRBQSN-UHFFFAOYSA-N
XLogP3.00
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850676
cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-(3-methoxypropyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062803
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563
[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131678675
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
(5-tert-butyl-2-methylfuran-3-yl)-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
CID 131679461
1-(4-fluorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17224019
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146062871
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 155868295) is N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is COCCN1CCC12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MEVGYTRBQRBQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3.C2HF3O2/c1-27-14-13-24-12-10-21(24)9-2-11-23(15-21)20(26)17-5-7-18(8-6-17)22-19(25)16-3-4-16;3-2(4,5)1(6)7/h5-8,16H,2-4,9-15H2,1H3,(H,22,25);(H,6,7).
What are the key properties of N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 485.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyethyl)-1,8-diazaspiro[3.5]nonane-8-carbonyl]phenyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155868295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).