N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide

C28H36FN3O5 — CID 142941754

IUPACN-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)CNC(=O)c2cc(=O)c3cccc(F)c3o2)CC1
InChIInChI=1S/C28H36FN3O5/c1-27(2,3)31-26(36)28(18-8-5-4-6-9-18)12-14-32(15-13-28)23(34)17-30-25(35)22-16-21(33)19-10-7-11-20(29)24(19)37-22/h7,10-11,16,18H,4-6,8-9,12-15,17H2,1-3H3,(H,30,35)(H,31,36)
InChIKeyLNQKPGCEDKZLKJ-UHFFFAOYSA-N
MW513.61 g/mol
LogP3.77
Rot. Bonds5

About N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide

N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 142941754) has the molecular formula C28H36FN3O5 and a molecular weight of 513.61 g/mol. Its IUPAC name is N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide
PubChem CID142941754
Molecular FormulaC28H36FN3O5
Molecular Weight513.61 g/mol
Exact Mass513.26
IUPAC NameN-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)CNC(=O)c2cc(=O)c3cccc(F)c3o2)CC1
InChIInChI=1S/C28H36FN3O5/c1-27(2,3)31-26(36)28(18-8-5-4-6-9-18)12-14-32(15-13-28)23(34)17-30-25(35)22-16-21(33)19-10-7-11-20(29)24(19)37-22/h7,10-11,16,18H,4-6,8-9,12-15,17H2,1-3H3,(H,30,35)(H,31,36)
InChIKeyLNQKPGCEDKZLKJ-UHFFFAOYSA-N
XLogP3.77
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-tert-butyl-1-[(2R)-3-(4-chlorophenyl)-2-[(6-fluoro-4-oxochromene-2-carbonyl)amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
CID 58733027
N-tert-butyl-4-cyclohexyl-1-[2-[(6,7-dihydroxy-4-oxochromene-2-carbonyl)amino]propanoyl]piperidine-4-carboxamide
CID 142941677
N-tert-butyl-4-cyclohexyl-1-[2-[(6,7-dihydroxy-4-oxochromene-2-carbonyl)amino]propanoyl]piperidine-4-carboxamide;1,4-xylene
CID 142941676
N-tert-butyl-1-[(2R)-3-(4-chlorophenyl)-2-[[4-oxo-6-(trifluoromethylsulfanyl)chromene-2-carbonyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
CID 58733152
N-tert-butyl-1-[(3S)-4-(4-chlorophenyl)-3-[(6-methyl-4-oxochromene-2-carbonyl)amino]butyl]-4-cyclohexylpiperidine-4-carboxamide
CID 58812542
N-tert-butyl-1-[(3S)-4-(4-chlorophenyl)-3-[(8-oxo-[1,3]dioxolo[4,5-g]chromene-6-carbonyl)amino]butyl]-4-cyclohexylpiperidine-4-carboxamide
CID 58812546
6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142941975
N-tert-butyl-1-[(3S)-4-(4-chlorophenyl)-3-[[4-oxo-6-(1,2,4-triazol-1-yl)chromene-2-carbonyl]amino]butyl]-4-cyclohexylpiperidine-4-carboxamide
CID 58812569
8-fluoro-4-oxo-N-[2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclohexylidene]ethyl]chromene-2-carboxamide
CID 142942110
N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen
CID 142165696
N-[2-[4-[[[(E)-but-2-en-2-yl]amino]methyl]-4-[(E)-prop-1-enyl]piperidin-1-yl]-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 142941731
N-(cyclohexylmethyl)-8-nitro-4-oxochromene-2-carboxamide
CID 86227233

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide (CID 142941754) is N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)CNC(=O)c2cc(=O)c3cccc(F)c3o2)CC1.
What is the InChIKey of N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is LNQKPGCEDKZLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN3O5/c1-27(2,3)31-26(36)28(18-8-5-4-6-9-18)12-14-32(15-13-28)23(34)17-30-25(35)22-16-21(33)19-10-7-11-20(29)24(19)37-22/h7,10-11,16,18H,4-6,8-9,12-15,17H2,1-3H3,(H,30,35)(H,31,36).
What are the key properties of N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide?
N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 513.61 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclohexyl-1-[2-[(8-fluoro-4-oxochromene-2-carbonyl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 142941754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).