5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C26H33N3O3 — CID 20801220

IUPAC5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3cc(OC)ccc32)c1
InChIInChI=1S/C26H33N3O3/c1-18(2)28-12-10-21(11-13-28)27-26(30)25-16-20-15-23(32-4)8-9-24(20)29(25)17-19-6-5-7-22(14-19)31-3/h5-9,14-16,18,21H,10-13,17H2,1-4H3,(H,27,30)
InChIKeyOVGNNEOTSYEFRR-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.31
Rot. Bonds7

About 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801220) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801220
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3cc(OC)ccc32)c1
InChIInChI=1S/C26H33N3O3/c1-18(2)28-12-10-21(11-13-28)27-26(30)25-16-20-15-23(32-4)8-9-24(20)29(25)17-19-6-5-7-22(14-19)31-3/h5-9,14-16,18,21H,10-13,17H2,1-4H3,(H,27,30)
InChIKeyOVGNNEOTSYEFRR-UHFFFAOYSA-N
XLogP4.31
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyazetidine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 67109136
1-[(3,5-dichlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801035
1-ethyl-5-methylsulfanyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244509
tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate
CID 86628722
[1-[(3-chlorophenyl)methyl]indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309643
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
[1-[[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-5-yl] propan-2-yl carbonate
CID 90309551
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309578
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801220) is 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3cc(OC)ccc32)c1.
What is the InChIKey of 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is OVGNNEOTSYEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)28-12-10-21(11-13-28)27-26(30)25-16-20-15-23(32-4)8-9-24(20)29(25)17-19-6-5-7-22(14-19)31-3/h5-9,14-16,18,21H,10-13,17H2,1-4H3,(H,27,30).
What are the key properties of 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(3-methoxyphenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).