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

C21H32N4O — CID 174478816

IUPAC[4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESCCCC(CN)(CCC)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H32N4O/c1-3-9-21(16-22,10-4-2)25-13-11-24(12-14-25)20(26)19-15-17-7-5-6-8-18(17)23-19/h5-8,15,23H,3-4,9-14,16,22H2,1-2H3
InChIKeyIQXBBXVAYHZFCN-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.22
Rot. Bonds7

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

[4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 174478816) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID174478816
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name[4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESCCCC(CN)(CCC)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H32N4O/c1-3-9-21(16-22,10-4-2)25-13-11-24(12-14-25)20(26)19-15-17-7-5-6-8-18(17)23-19/h5-8,15,23H,3-4,9-14,16,22H2,1-2H3
InChIKeyIQXBBXVAYHZFCN-UHFFFAOYSA-N
XLogP3.22
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone with MolForge

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Related Compounds

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 22660610
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119767406
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 174478816) is [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone is CCCC(CN)(CCC)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is IQXBBXVAYHZFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-9-21(16-22,10-4-2)25-13-11-24(12-14-25)20(26)19-15-17-7-5-6-8-18(17)23-19/h5-8,15,23H,3-4,9-14,16,22H2,1-2H3.
What are the key properties of [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)heptan-4-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 174478816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).