4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C25H25ClN2O2 — CID 118063683

IUPAC4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2cccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2)CC1
InChIInChI=1S/C25H25ClN2O2/c1-28-14-12-23(13-15-28)30-24-7-3-5-20(17-24)19-4-2-6-22(16-19)27-25(29)18-8-10-21(26)11-9-18/h2-11,16-17,23H,12-15H2,1H3,(H,27,29)
InChIKeyUNTXLEKTWYBBNW-UHFFFAOYSA-N
MW420.94 g/mol
LogP5.73
Rot. Bonds5

About 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063683) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063683
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2cccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2)CC1
InChIInChI=1S/C25H25ClN2O2/c1-28-14-12-23(13-15-28)30-24-7-3-5-20(17-24)19-4-2-6-22(16-19)27-25(29)18-8-10-21(26)11-9-18/h2-11,16-17,23H,12-15H2,1H3,(H,27,29)
InChIKeyUNTXLEKTWYBBNW-UHFFFAOYSA-N
XLogP5.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764
N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide
CID 118063091
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
CID 69071575
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377
[3-[2-hydroxy-5-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]carbamoyl]phenyl]phenyl] acetate
CID 118063387
N-[3-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]phenyl]methanesulfonamide
CID 67168414
4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063067
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide
CID 144842995
N-[3-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]phenyl]-4-chlorobenzamide
CID 142998036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063683) is 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is CN1CCC(Oc2cccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2)CC1.
What is the InChIKey of 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is UNTXLEKTWYBBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-28-14-12-23(13-15-28)30-24-7-3-5-20(17-24)19-4-2-6-22(16-19)27-25(29)18-8-10-21(26)11-9-18/h2-11,16-17,23H,12-15H2,1H3,(H,27,29).
What are the key properties of 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 420.94 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).