6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide

C32H38F2N6O5 — CID 154813957

IUPAC6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide
SMILESO=C1CN(CC(=O)N2CCC(F)(F)CC2)C(=O)CC2(CCN(C(=O)Nc3ccccc3)CC2)NC(=O)Cc2ccccc2CN1
InChIInChI=1S/C32H38F2N6O5/c33-32(34)12-16-38(17-13-32)29(44)22-40-21-27(42)35-20-24-7-5-4-6-23(24)18-26(41)37-31(19-28(40)43)10-14-39(15-11-31)30(45)36-25-8-2-1-3-9-25/h1-9H,10-22H2,(H,35,42)(H,36,45)(H,37,41)
InChIKeyUYGIRQMKYYHHQW-UHFFFAOYSA-N
MW624.69 g/mol
LogP2.52
Rot. Bonds3

About 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide

6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide (PubChem CID 154813957) has the molecular formula C32H38F2N6O5 and a molecular weight of 624.69 g/mol. Its IUPAC name is 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide
PubChem CID154813957
Molecular FormulaC32H38F2N6O5
Molecular Weight624.69 g/mol
Exact Mass624.29
IUPAC Name6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide
SMILESO=C1CN(CC(=O)N2CCC(F)(F)CC2)C(=O)CC2(CCN(C(=O)Nc3ccccc3)CC2)NC(=O)Cc2ccccc2CN1
InChIInChI=1S/C32H38F2N6O5/c33-32(34)12-16-38(17-13-32)29(44)22-40-21-27(42)35-20-24-7-5-4-6-23(24)18-26(41)37-31(19-28(40)43)10-14-39(15-11-31)30(45)36-25-8-2-1-3-9-25/h1-9H,10-22H2,(H,35,42)(H,36,45)(H,37,41)
InChIKeyUYGIRQMKYYHHQW-UHFFFAOYSA-N
XLogP2.52
TPSA131.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.69
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

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4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 50831198
6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
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4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
(5S)-5-(cyclopentylamino)-1'-(3,3-dimethylbutanoyl)spiro[3,9,13-triazabicyclo[14.4.0]icosa-1(20),16,18-triene-12,4'-piperidine]-4,10,14-trione
CID 154813804
ethane;3-oxo-N,8-diphenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide
CID 91605331
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CID 171687828
1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone
CID 121359718
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
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CID 14267826

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide (CID 154813957) is 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide is O=C1CN(CC(=O)N2CCC(F)(F)CC2)C(=O)CC2(CCN(C(=O)Nc3ccccc3)CC2)NC(=O)Cc2ccccc2CN1.
What is the InChIKey of 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide?
The InChIKey is UYGIRQMKYYHHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N6O5/c33-32(34)12-16-38(17-13-32)29(44)22-40-21-27(42)35-20-24-7-5-4-6-23(24)18-26(41)37-31(19-28(40)43)10-14-39(15-11-31)30(45)36-25-8-2-1-3-9-25/h1-9H,10-22H2,(H,35,42)(H,36,45)(H,37,41).
What are the key properties of 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide?
6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide has a molecular weight of 624.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-4,7,11-trioxo-N-phenylspiro[3,6,10-triazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-9,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 154813957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).