1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one

C24H27F3N4O2 — CID 56515315

IUPAC1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)19-10-11-20(28-17-19)29-12-6-13-30(16-15-29)23(33)22(18-7-2-1-3-8-18)31-14-5-4-9-21(31)32/h1-3,7-8,10-11,17,22H,4-6,9,12-16H2
InChIKeyQINCDTSVSVMRFH-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one

1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one (PubChem CID 56515315) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one
PubChem CID56515315
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one
SMILESO=C(C(c1ccccc1)N1CCCCC1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)19-10-11-20(28-17-19)29-12-6-13-30(16-15-29)23(33)22(18-7-2-1-3-8-18)31-14-5-4-9-21(31)32/h1-3,7-8,10-11,17,22H,4-6,9,12-16H2
InChIKeyQINCDTSVSVMRFH-UHFFFAOYSA-N
XLogP3.89
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 31370609
(2-hydroxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 33148672
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621
1-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46448035
[2-(2-chlorophenyl)cyclopropyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 55478642
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
[1-(benzenesulfonyl)piperidin-2-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 43019033
3-[(2R)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-2-yl]-1,3-benzoxazol-2-one
CID 51929656
N-[3-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]butan-2-yl]acetamide
CID 46692364
2,2,3,3,4,4,4-heptafluoro-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
CID 4530139
(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 47080233
3-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 55414455

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one (CID 56515315) is 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one is O=C(C(c1ccccc1)N1CCCCC1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one?
The InChIKey is QINCDTSVSVMRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c25-24(26,27)19-10-11-20(28-17-19)29-12-6-13-30(16-15-29)23(33)22(18-7-2-1-3-8-18)31-14-5-4-9-21(31)32/h1-3,7-8,10-11,17,22H,4-6,9,12-16H2.
What are the key properties of 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one?
1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one has a molecular weight of 460.50 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 56515315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).