1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate

C19H26N4O2 — CID 68557501

IUPAC1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCN1CCN(C2CCN(C(=O)Oc3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C19H26N4O2/c1-21-10-12-22(13-11-21)15-6-8-23(9-7-15)19(24)25-18-14-20-17-5-3-2-4-16(17)18/h2-5,14-15,20H,6-13H2,1H3
InChIKeyIIXSLNYKOXYOKJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.38
Rot. Bonds2

About 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate

1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate (PubChem CID 68557501) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
PubChem CID68557501
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCN1CCN(C2CCN(C(=O)Oc3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C19H26N4O2/c1-21-10-12-22(13-11-21)15-6-8-23(9-7-15)19(24)25-18-14-20-17-5-3-2-4-16(17)18/h2-5,14-15,20H,6-13H2,1H3
InChIKeyIIXSLNYKOXYOKJ-UHFFFAOYSA-N
XLogP2.38
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
(2-aminophenyl) 4-(azepan-1-yl)piperidine-1-carboxylate
CID 164909292
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide
CID 7615909
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
1H-indazol-3-yl 4-methylpiperidine-1-carboxylate
CID 11184512

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate?
The IUPAC name of 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate (CID 68557501) is 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate is CN1CCN(C2CCN(C(=O)Oc3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate?
The InChIKey is IIXSLNYKOXYOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21-10-12-22(13-11-21)15-6-8-23(9-7-15)19(24)25-18-14-20-17-5-3-2-4-16(17)18/h2-5,14-15,20H,6-13H2,1H3.
What are the key properties of 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate?
1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68557501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).