[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone

C15H20N4O — CID 80504727

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3[nH]2)C(CN)C1
InChIInChI=1S/C15H20N4O/c1-18-6-7-19(12(9-16)10-18)15(20)14-8-11-4-2-3-5-13(11)17-14/h2-5,8,12,17H,6-7,9-10,16H2,1H3
InChIKeyHCMVMQVMPGBYKT-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.88
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 80504727) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID80504727
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3[nH]2)C(CN)C1
InChIInChI=1S/C15H20N4O/c1-18-6-7-19(12(9-16)10-18)15(20)14-8-11-4-2-3-5-13(11)17-14/h2-5,8,12,17H,6-7,9-10,16H2,1H3
InChIKeyHCMVMQVMPGBYKT-UHFFFAOYSA-N
XLogP0.88
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
CID 80504331
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[(2S)-2,4-dibenzylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 139757452
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetic acid
CID 155255124
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 80504367
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345098
[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-(1H-indol-2-yl)methanone
CID 110128506
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone
CID 80504854

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone (CID 80504727) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone is CN1CCN(C(=O)c2cc3ccccc3[nH]2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is HCMVMQVMPGBYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-6-7-19(12(9-16)10-18)15(20)14-8-11-4-2-3-5-13(11)17-14/h2-5,8,12,17H,6-7,9-10,16H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 80504727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).