N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide

C29H38N4O2 — CID 171085962

IUPACN-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cc(-c2cnn(C)c2)cc([C@@H](C)NC(=O)c2cc(C3CCN(C(C)C)CC3)ccc2C)c1
InChIInChI=1S/C29H38N4O2/c1-19(2)33-11-9-22(10-12-33)23-8-7-20(3)28(16-23)29(34)31-21(4)24-13-25(15-27(14-24)35-6)26-17-30-32(5)18-26/h7-8,13-19,21-22H,9-12H2,1-6H3,(H,31,34)/t21-/m1/s1
InChIKeyWZPVIDAPISYFAY-OAQYLSRUSA-N
MW474.65 g/mol
LogP5.48
Rot. Bonds7

About N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide

N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 171085962) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID171085962
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC NameN-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1cc(-c2cnn(C)c2)cc([C@@H](C)NC(=O)c2cc(C3CCN(C(C)C)CC3)ccc2C)c1
InChIInChI=1S/C29H38N4O2/c1-19(2)33-11-9-22(10-12-33)23-8-7-20(3)28(16-23)29(34)31-21(4)24-13-25(15-27(14-24)35-6)26-17-30-32(5)18-26/h7-8,13-19,21-22H,9-12H2,1-6H3,(H,31,34)/t21-/m1/s1
InChIKeyWZPVIDAPISYFAY-OAQYLSRUSA-N
XLogP5.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide
CID 171086306
5-[(1R,5S)-8-cyclopropyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide
CID 174283369
N-[1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(3-morpholin-4-ylazetidin-1-yl)benzamide
CID 171086258
5-[(1R,4R)-5-cyclobutyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide
CID 171086354
5-[(1S,5R)-8-[(2R)-2,3-dihydroxypropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide
CID 171086405
5-[2-(2-hydroxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide
CID 171086403
N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-[(1R,5S)-8-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
CID 171086157
N-[(1R)-1-[3-(difluoromethoxy)-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116104
benzyl 4-[3-methoxy-5-[(1R)-1-[[2-methyl-5-(1-methylpiperidin-4-yl)benzoyl]amino]ethyl]phenyl]thiophene-2-carboxylate
CID 171086358
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 171086123
5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-[(1R)-1-[3-(2-hydroxyethoxy)-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methylbenzamide
CID 174283675
N-[(1R)-1-[3-(2-ethoxyethoxy)-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 171086253

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 171085962) is N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide is COc1cc(-c2cnn(C)c2)cc([C@@H](C)NC(=O)c2cc(C3CCN(C(C)C)CC3)ccc2C)c1.
What is the InChIKey of N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is WZPVIDAPISYFAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-19(2)33-11-9-22(10-12-33)23-8-7-20(3)28(16-23)29(34)31-21(4)24-13-25(15-27(14-24)35-6)26-17-30-32(5)18-26/h7-8,13-19,21-22H,9-12H2,1-6H3,(H,31,34)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide?
N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 474.65 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-methoxy-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 171085962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).