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

C22H27ClN2O3 — CID 38101127

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(OC)cc1Cl
InChIInChI=1S/C22H27ClN2O3/c1-15-5-4-10-25(13-15)14-16-6-8-17(9-7-16)22(26)24-19-12-20(27-2)18(23)11-21(19)28-3/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyFTCSHUHMYMGXQE-OAHLLOKOSA-N
MW402.92 g/mol
LogP4.84
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 38101127) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID38101127
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(OC)cc1Cl
InChIInChI=1S/C22H27ClN2O3/c1-15-5-4-10-25(13-15)14-16-6-8-17(9-7-16)22(26)24-19-12-20(27-2)18(23)11-21(19)28-3/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,24,26)/t15-/m1/s1
InChIKeyFTCSHUHMYMGXQE-OAHLLOKOSA-N
XLogP4.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93486494
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 95134634
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide (CID 38101127) is N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is COc1cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is FTCSHUHMYMGXQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-15-5-4-10-25(13-15)14-16-6-8-17(9-7-16)22(26)24-19-12-20(27-2)18(23)11-21(19)28-3/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,24,26)/t15-/m1/s1.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 402.92 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 38101127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).