3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole

C22H28N4O — CID 15288310

IUPAC3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole
SMILESCOc1cnccc1N1CCN(CCCc2c[nH]c3ccccc23)C(C)C1
InChIInChI=1S/C22H28N4O/c1-17-16-26(21-9-10-23-15-22(21)27-2)13-12-25(17)11-5-6-18-14-24-20-8-4-3-7-19(18)20/h3-4,7-10,14-15,17,24H,5-6,11-13,16H2,1-2H3
InChIKeyRZQIGQUOKAWBDA-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds6

About 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole

3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole (PubChem CID 15288310) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole
PubChem CID15288310
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole
SMILESCOc1cnccc1N1CCN(CCCc2c[nH]c3ccccc23)C(C)C1
InChIInChI=1S/C22H28N4O/c1-17-16-26(21-9-10-23-15-22(21)27-2)13-12-25(17)11-5-6-18-14-24-20-8-4-3-7-19(18)20/h3-4,7-10,14-15,17,24H,5-6,11-13,16H2,1-2H3
InChIKeyRZQIGQUOKAWBDA-UHFFFAOYSA-N
XLogP3.71
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole
CID 15288327
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[3-(4-methoxy-3-pyridinyl)propyl]piperazin-1-yl]methanone
CID 87947280
3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10226137
1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole
CID 67713424
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole (CID 15288310) is 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole is COc1cnccc1N1CCN(CCCc2c[nH]c3ccccc23)C(C)C1.
What is the InChIKey of 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole?
The InChIKey is RZQIGQUOKAWBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-16-26(21-9-10-23-15-22(21)27-2)13-12-25(17)11-5-6-18-14-24-20-8-4-3-7-19(18)20/h3-4,7-10,14-15,17,24H,5-6,11-13,16H2,1-2H3.
What are the key properties of 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole?
3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole has a molecular weight of 364.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 15288310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).