1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide

C22H26FN3O — CID 134070879

IUPAC1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC2(CCCN2Cc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN3O/c23-19-8-4-7-18(15-19)16-26-14-6-12-22(26)11-5-13-25(17-22)21(27)24-20-9-2-1-3-10-20/h1-4,7-10,15H,5-6,11-14,16-17H2,(H,24,27)
InChIKeyMDYWVAXKQMGZAA-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.49
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide

1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 134070879) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID134070879
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC2(CCCN2Cc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN3O/c23-19-8-4-7-18(15-19)16-26-14-6-12-22(26)11-5-13-25(17-22)21(27)24-20-9-2-1-3-10-20/h1-4,7-10,15H,5-6,11-14,16-17H2,(H,24,27)
InChIKeyMDYWVAXKQMGZAA-UHFFFAOYSA-N
XLogP4.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134070803
(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 97481852
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131681549
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
3-(5-azaspiro[3.4]octan-5-ylmethyl)benzoic acid
CID 122033555
3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145789
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
N-(3-methoxyphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 131661531
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide (CID 134070879) is 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide is O=C(Nc1ccccc1)N1CCCC2(CCCN2Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is MDYWVAXKQMGZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-8-4-7-18(15-19)16-26-14-6-12-22(26)11-5-13-25(17-22)21(27)24-20-9-2-1-3-10-20/h1-4,7-10,15H,5-6,11-14,16-17H2,(H,24,27).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide?
1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 134070879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).