2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C24H29N3O4 — CID 16909583

IUPAC2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-30-21-8-7-19(15-22(21)31-2)25-23(28)16-26-12-9-18(10-13-26)24(29)27-14-11-17-5-3-4-6-20(17)27/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,28)
InChIKeyBQTSIZBUZQDXOK-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.94
Rot. Bonds6

About 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 16909583) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID16909583
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-30-21-8-7-19(15-22(21)31-2)25-23(28)16-26-12-9-18(10-13-26)24(29)27-14-11-17-5-3-4-6-20(17)27/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,28)
InChIKeyBQTSIZBUZQDXOK-UHFFFAOYSA-N
XLogP2.94
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 16909818
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 16909656
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 16909588
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
N-(3,4-dimethoxyphenyl)-2-(4-pyrazol-1-ylpiperidin-1-yl)acetamide
CID 136524524
N-(3,4-dimethoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16909653
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 16909583) is 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1OC.
What is the InChIKey of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BQTSIZBUZQDXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-21-8-7-19(15-22(21)31-2)25-23(28)16-26-12-9-18(10-13-26)24(29)27-14-11-17-5-3-4-6-20(17)27/h3-8,15,18H,9-14,16H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16909583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).