3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide

C26H27ClN2O2 — CID 134796578

IUPAC3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C26H27ClN2O2/c1-31-25-11-3-2-10-24(25)20-7-4-6-19(16-20)18-29-14-12-23(13-15-29)28-26(30)21-8-5-9-22(27)17-21/h2-11,16-17,23H,12-15,18H2,1H3,(H,28,30)
InChIKeyMTSIUNBAGUGVPL-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.41
Rot. Bonds6

About 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide

3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 134796578) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID134796578
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C26H27ClN2O2/c1-31-25-11-3-2-10-24(25)20-7-4-6-19(16-20)18-29-14-12-23(13-15-29)28-26(30)21-8-5-9-22(27)17-21/h2-11,16-17,23H,12-15,18H2,1H3,(H,28,30)
InChIKeyMTSIUNBAGUGVPL-UHFFFAOYSA-N
XLogP5.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 134796578) is 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide is COc1ccccc1-c1cccc(CN2CCC(NC(=O)c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is MTSIUNBAGUGVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-31-25-11-3-2-10-24(25)20-7-4-6-19(16-20)18-29-14-12-23(13-15-29)28-26(30)21-8-5-9-22(27)17-21/h2-11,16-17,23H,12-15,18H2,1H3,(H,28,30).
What are the key properties of 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134796578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).