(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

C16H20F3N3O — CID 97436544

IUPAC(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN1CC[C@]2(CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)C1
InChIInChI=1S/C16H20F3N3O/c1-21-6-4-16(9-21)3-2-5-22(10-16)15(23)20-14-8-12(18)11(17)7-13(14)19/h7-8H,2-6,9-10H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyROMQBOFTVXFIIU-MRXNPFEDSA-N
MW327.35 g/mol
LogP3.05
Rot. Bonds1

About (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 97436544) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID97436544
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCN1CC[C@]2(CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)C1
InChIInChI=1S/C16H20F3N3O/c1-21-6-4-16(9-21)3-2-5-22(10-16)15(23)20-14-8-12(18)11(17)7-13(14)19/h7-8H,2-6,9-10H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyROMQBOFTVXFIIU-MRXNPFEDSA-N
XLogP3.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 72861534
(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 97276888
(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 154737014
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56759251
4,5-difluoro-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 62865922
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 97436544) is (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide is CN1CC[C@]2(CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)C1.
What is the InChIKey of (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is ROMQBOFTVXFIIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-21-6-4-16(9-21)3-2-5-22(10-16)15(23)20-14-8-12(18)11(17)7-13(14)19/h7-8H,2-6,9-10H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide?
(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 97436544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).