2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone

C23H28N2O2 — CID 38106377

IUPAC2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCCOc1cccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-2-27-21-8-5-6-18(16-21)17-24-13-10-20(11-14-24)23(26)25-15-12-19-7-3-4-9-22(19)25/h3-9,16,20H,2,10-15,17H2,1H3
InChIKeyYCYRXDCVENNVDA-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.89
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 38106377) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
PubChem CID38106377
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCCOc1cccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-2-27-21-8-5-6-18(16-21)17-24-13-10-20(11-14-24)23(26)25-15-12-19-7-3-4-9-22(19)25/h3-9,16,20H,2,10-15,17H2,1H3
InChIKeyYCYRXDCVENNVDA-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891645
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917863
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 43922406

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone (CID 38106377) is 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone is CCOc1cccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is YCYRXDCVENNVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-27-21-8-5-6-18(16-21)17-24-13-10-20(11-14-24)23(26)25-15-12-19-7-3-4-9-22(19)25/h3-9,16,20H,2,10-15,17H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 38106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).