N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide

C25H31N3O2 — CID 60517352

IUPACN-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)N1CCC(c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C25H31N3O2/c1-16-9-10-23(30-4)22(15-16)27-25(29)18(3)28-13-11-19(12-14-28)24-17(2)26-21-8-6-5-7-20(21)24/h5-10,15,18-19,26H,11-14H2,1-4H3,(H,27,29)
InChIKeyHXDYAXDGAZWREU-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.00
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide

N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide (PubChem CID 60517352) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide
PubChem CID60517352
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)N1CCC(c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C25H31N3O2/c1-16-9-10-23(30-4)22(15-16)27-25(29)18(3)28-13-11-19(12-14-28)24-17(2)26-21-8-6-5-7-20(21)24/h5-10,15,18-19,26H,11-14H2,1-4H3,(H,27,29)
InChIKeyHXDYAXDGAZWREU-UHFFFAOYSA-N
XLogP5.00
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 41414932
N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506456
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 110019793
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904868
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9432648
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495104
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide (CID 60517352) is N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide is COc1ccc(C)cc1NC(=O)C(C)N1CCC(c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is HXDYAXDGAZWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-16-9-10-23(30-4)22(15-16)27-25(29)18(3)28-13-11-19(12-14-28)24-17(2)26-21-8-6-5-7-20(21)24/h5-10,15,18-19,26H,11-14H2,1-4H3,(H,27,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide?
N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 405.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 60517352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).