N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide

C29H28BrClFN3O3 — CID 143823481

IUPACN-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide
SMILESO=CNc1cc(Cl)ccc1C1C(c2cc(Br)ccc2OC2CCNCC2)CC(=O)NC1c1cccc(F)c1
InChIInChI=1S/C29H28BrClFN3O3/c30-18-4-7-26(38-21-8-10-33-11-9-21)23(13-18)24-15-27(37)35-29(17-2-1-3-20(32)12-17)28(24)22-6-5-19(31)14-25(22)34-16-36/h1-7,12-14,16,21,24,28-29,33H,8-11,15H2,(H,34,36)(H,35,37)
InChIKeyXYZTWGYKVYESMR-UHFFFAOYSA-N
MW600.92 g/mol
LogP6.07
Rot. Bonds7

About N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide

N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide (PubChem CID 143823481) has the molecular formula C29H28BrClFN3O3 and a molecular weight of 600.92 g/mol. Its IUPAC name is N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide.

Molecular Properties

Compound NameN-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide
PubChem CID143823481
Molecular FormulaC29H28BrClFN3O3
Molecular Weight600.92 g/mol
Exact Mass599.10
IUPAC NameN-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide
SMILESO=CNc1cc(Cl)ccc1C1C(c2cc(Br)ccc2OC2CCNCC2)CC(=O)NC1c1cccc(F)c1
InChIInChI=1S/C29H28BrClFN3O3/c30-18-4-7-26(38-21-8-10-33-11-9-21)23(13-18)24-15-27(37)35-29(17-2-1-3-20(32)12-17)28(24)22-6-5-19(31)14-25(22)34-16-36/h1-7,12-14,16,21,24,28-29,33H,8-11,15H2,(H,34,36)(H,35,37)
InChIKeyXYZTWGYKVYESMR-UHFFFAOYSA-N
XLogP6.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.92
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide
CID 143823424
N-[5-chloro-2-[4-[5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,5-difluorophenyl)-6-oxopiperidin-3-yl]phenyl]formamide
CID 143823420
3-[4-chloro-2-[3-(4-chloro-2-formamidophenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-4-yl]phenoxy]-2,2-dimethylpropanoic acid
CID 143823461
(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143819947
(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143820122
2-[4-chloro-2-[3-(4-chloro-2-formamidophenyl)-2-(2-methyl-5-phosphanylphenyl)-6-oxopiperidin-4-yl]phenoxy]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 143823469
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
N-[5-chloro-2-[(4S)-4-(3-chlorophenyl)pyrrolidin-3-yl]-4-fluorophenyl]formamide
CID 143648501
N-[5-chloro-2-(3-fluorophenoxy)phenyl]formamide
CID 168652553
4'-[2-(1-acetylpiperidin-4-yl)oxy-5-bromophenyl]-6-chloro-6'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 77285149
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide?
The IUPAC name of N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide (CID 143823481) is N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide.
What is the SMILES notation for N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide?
The canonical SMILES for N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide is O=CNc1cc(Cl)ccc1C1C(c2cc(Br)ccc2OC2CCNCC2)CC(=O)NC1c1cccc(F)c1.
What is the InChIKey of N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide?
The InChIKey is XYZTWGYKVYESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28BrClFN3O3/c30-18-4-7-26(38-21-8-10-33-11-9-21)23(13-18)24-15-27(37)35-29(17-2-1-3-20(32)12-17)28(24)22-6-5-19(31)14-25(22)34-16-36/h1-7,12-14,16,21,24,28-29,33H,8-11,15H2,(H,34,36)(H,35,37).
What are the key properties of N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide?
N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide has a molecular weight of 600.92 g/mol, XLogP of 6.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-bromo-2-piperidin-4-yloxyphenyl)-2-(3-fluorophenyl)-6-oxopiperidin-3-yl]-5-chlorophenyl]formamide is sourced from PubChem (CID 143823481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).