1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide

C22H28F4N4O2 — CID 175974847

IUPAC1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)N2CC3(CCN(Cc4ccc(C(F)(F)F)cc4F)CC3)C2)C1
InChIInChI=1S/C22H28F4N4O2/c23-18-10-17(22(24,25)26)4-3-15(18)11-28-8-5-21(6-9-28)13-30(14-21)20(32)29-7-1-2-16(12-29)19(27)31/h3-4,10,16H,1-2,5-9,11-14H2,(H2,27,31)
InChIKeyBBXJALWCPCLPPZ-UHFFFAOYSA-N
MW456.48 g/mol
LogP3.06
Rot. Bonds3

About 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide

1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide (PubChem CID 175974847) has the molecular formula C22H28F4N4O2 and a molecular weight of 456.48 g/mol. Its IUPAC name is 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide
PubChem CID175974847
Molecular FormulaC22H28F4N4O2
Molecular Weight456.48 g/mol
Exact Mass456.21
IUPAC Name1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)N2CC3(CCN(Cc4ccc(C(F)(F)F)cc4F)CC3)C2)C1
InChIInChI=1S/C22H28F4N4O2/c23-18-10-17(22(24,25)26)4-3-15(18)11-28-8-5-21(6-9-28)13-30(14-21)20(32)29-7-1-2-16(12-29)19(27)31/h3-4,10,16H,1-2,5-9,11-14H2,(H2,27,31)
InChIKeyBBXJALWCPCLPPZ-UHFFFAOYSA-N
XLogP3.06
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

tert-butyl 7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162745676
3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 70731830
(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
CID 172675159
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009454
2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 131932947
tert-butyl 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 118378621
(3R,4R)-3-(cyclopropylmethyl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 155919400

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide (CID 175974847) is 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)N2CC3(CCN(Cc4ccc(C(F)(F)F)cc4F)CC3)C2)C1.
What is the InChIKey of 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is BBXJALWCPCLPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F4N4O2/c23-18-10-17(22(24,25)26)4-3-15(18)11-28-8-5-21(6-9-28)13-30(14-21)20(32)29-7-1-2-16(12-29)19(27)31/h3-4,10,16H,1-2,5-9,11-14H2,(H2,27,31).
What are the key properties of 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide?
1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 175974847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).