N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide

C30H30Cl2FN3O3 — CID 143823424

IUPACN-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide
SMILESCc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2CCNCC2)C1c1ccc(Cl)cc1NC=O
InChIInChI=1S/C30H30Cl2FN3O3/c1-17-2-5-20(33)14-23(17)30-29(22-6-3-19(32)13-26(22)35-16-37)25(15-28(38)36-30)24-12-18(31)4-7-27(24)39-21-8-10-34-11-9-21/h2-7,12-14,16,21,25,29-30,34H,8-11,15H2,1H3,(H,35,37)(H,36,38)
InChIKeyDTHVICHNSUNTIW-UHFFFAOYSA-N
MW570.49 g/mol
LogP6.27
Rot. Bonds7

About N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide

N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide (PubChem CID 143823424) has the molecular formula C30H30Cl2FN3O3 and a molecular weight of 570.49 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide
PubChem CID143823424
Molecular FormulaC30H30Cl2FN3O3
Molecular Weight570.49 g/mol
Exact Mass569.16
IUPAC NameN-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide
SMILESCc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2CCNCC2)C1c1ccc(Cl)cc1NC=O
InChIInChI=1S/C30H30Cl2FN3O3/c1-17-2-5-20(33)14-23(17)30-29(22-6-3-19(32)13-26(22)35-16-37)25(15-28(38)36-30)24-12-18(31)4-7-27(24)39-21-8-10-34-11-9-21/h2-7,12-14,16,21,25,29-30,34H,8-11,15H2,1H3,(H,35,37)(H,36,38)
InChIKeyDTHVICHNSUNTIW-UHFFFAOYSA-N
XLogP6.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.49
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide?
The IUPAC name of N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide (CID 143823424) is N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide.
What is the SMILES notation for N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide?
The canonical SMILES for N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide is Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2CCNCC2)C1c1ccc(Cl)cc1NC=O.
What is the InChIKey of N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide?
The InChIKey is DTHVICHNSUNTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2FN3O3/c1-17-2-5-20(33)14-23(17)30-29(22-6-3-19(32)13-26(22)35-16-37)25(15-28(38)36-30)24-12-18(31)4-7-27(24)39-21-8-10-34-11-9-21/h2-7,12-14,16,21,25,29-30,34H,8-11,15H2,1H3,(H,35,37)(H,36,38).
What are the key properties of N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide?
N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide has a molecular weight of 570.49 g/mol, XLogP of 6.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-(5-chloro-2-piperidin-4-yloxyphenyl)-2-(5-fluoro-2-methylphenyl)-6-oxopiperidin-3-yl]phenyl]formamide is sourced from PubChem (CID 143823424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).