N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C26H33N3O3 — CID 46429981

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)N2CCCCC2)cc1
InChIInChI=1S/C26H33N3O3/c1-18-15-23(18)26(31)28-21-8-6-7-20(16-21)25(30)27-17-24(29-13-4-3-5-14-29)19-9-11-22(32-2)12-10-19/h6-12,16,18,23-24H,3-5,13-15,17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMCSZGTNWWVHQSN-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.25
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 46429981) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID46429981
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)N2CCCCC2)cc1
InChIInChI=1S/C26H33N3O3/c1-18-15-23(18)26(31)28-21-8-6-7-20(16-21)25(30)27-17-24(29-13-4-3-5-14-29)19-9-11-22(32-2)12-10-19/h6-12,16,18,23-24H,3-5,13-15,17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMCSZGTNWWVHQSN-UHFFFAOYSA-N
XLogP4.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 78815862
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648199
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
3-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 2997566
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 166324576
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 46429981) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is COc1ccc(C(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is MCSZGTNWWVHQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18-15-23(18)26(31)28-21-8-6-7-20(16-21)25(30)27-17-24(29-13-4-3-5-14-29)19-9-11-22(32-2)12-10-19/h6-12,16,18,23-24H,3-5,13-15,17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 46429981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).