N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide

C26H27ClN2O2 — CID 93486494

IUPACN-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1
InChIInChI=1S/C26H27ClN2O2/c1-19-6-5-15-29(17-19)18-20-9-11-21(12-10-20)26(30)28-24-16-22(27)13-14-25(24)31-23-7-3-2-4-8-23/h2-4,7-14,16,19H,5-6,15,17-18H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeySJWOKKFWSDUUDT-LJQANCHMSA-N
MW434.97 g/mol
LogP6.62
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide

N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 93486494) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID93486494
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1
InChIInChI=1S/C26H27ClN2O2/c1-19-6-5-15-29(17-19)18-20-9-11-21(12-10-20)26(30)28-24-16-22(27)13-14-25(24)31-23-7-3-2-4-8-23/h2-4,7-14,16,19H,5-6,15,17-18H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeySJWOKKFWSDUUDT-LJQANCHMSA-N
XLogP6.62
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 ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924914
N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38101127
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99950141
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9304566

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (CID 93486494) is N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is SJWOKKFWSDUUDT-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-19-6-5-15-29(17-19)18-20-9-11-21(12-10-20)26(30)28-24-16-22(27)13-14-25(24)31-23-7-3-2-4-8-23/h2-4,7-14,16,19H,5-6,15,17-18H2,1H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 93486494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).