[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C25H38N4O2 — CID 68624973

IUPAC[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCN1CCCC(Cn2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)C1
InChIInChI=1S/C25H38N4O2/c1-20(2)27-11-13-28(14-12-27)25(30)23-6-7-24-22(17-23)8-10-29(24)19-21-5-4-9-26(18-21)15-16-31-3/h6-8,10,17,20-21H,4-5,9,11-16,18-19H2,1-3H3
InChIKeyDNVJSRJUXHPSRQ-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.17
Rot. Bonds7

About [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68624973) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68624973
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCN1CCCC(Cn2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)C1
InChIInChI=1S/C25H38N4O2/c1-20(2)27-11-13-28(14-12-27)25(30)23-6-7-24-22(17-23)8-10-29(24)19-21-5-4-9-26(18-21)15-16-31-3/h6-8,10,17,20-21H,4-5,9,11-16,18-19H2,1-3H3
InChIKeyDNVJSRJUXHPSRQ-UHFFFAOYSA-N
XLogP3.17
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
2-[3-[5-(4-propan-2-ylpiperazine-1-carbonyl)indol-1-yl]pyrrolidin-1-yl]acetonitrile
CID 87519312
(3S)-4-(cyclopropylmethyl)-1-(1-ethylindole-5-carbonyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95563767
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
CID 71753850
[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681776
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone
CID 71706055
(1-ethylindol-5-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95896712
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
CID 68624872
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 97266069
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
CID 115106717

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68624973) is [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COCCN1CCCC(Cn2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)C1.
What is the InChIKey of [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DNVJSRJUXHPSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-20(2)27-11-13-28(14-12-27)25(30)23-6-7-24-22(17-23)8-10-29(24)19-21-5-4-9-26(18-21)15-16-31-3/h6-8,10,17,20-21H,4-5,9,11-16,18-19H2,1-3H3.
What are the key properties of [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 426.61 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68624973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).