(5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone

C17H26N2O — CID 161010056

IUPAC(5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1CCC2=C(C=C(C(=O)N3CCN(C)CC3)C2)C1
InChIInChI=1S/C17H26N2O/c1-3-13-4-5-14-11-16(12-15(14)10-13)17(20)19-8-6-18(2)7-9-19/h12-13H,3-11H2,1-2H3
InChIKeyTXABHCSDBYVSTP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds2

About (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 161010056) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID161010056
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCC1CCC2=C(C=C(C(=O)N3CCN(C)CC3)C2)C1
InChIInChI=1S/C17H26N2O/c1-3-13-4-5-14-11-16(12-15(14)10-13)17(20)19-8-6-18(2)7-9-19/h12-13H,3-11H2,1-2H3
InChIKeyTXABHCSDBYVSTP-UHFFFAOYSA-N
XLogP2.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-{[4-(2-Cyclopentylacetyl)piperazin-1-YL]methyl}-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
CID 53191741
6-fluoro-N-(2-piperidin-1-ylethyl)-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
CID 164112082
1-{3-[1-(1-Cyclohexen-1-ylcarbonyl)-4-piperidinyl]propanoyl}-4-ethylpiperazine
CID 28356482
1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 71131804
[6-(aminomethyl)-3,4,4a,5-tetrahydro-1H-isoquinolin-2-yl]-(4-ethyl-3,4,4a,5,6,8a-hexahydronaphthalen-2-yl)methanone
CID 91378098
(4-Methylcyclohexa-1,3-dien-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 91541570
(4-Ethylpiperazin-1-yl)-(4-methylcyclohexa-1,3-dien-1-yl)methanone
CID 118130275
(4-Cyclopropylcyclohexa-1,3-dien-1-yl)-(2-methyl-6-prop-1-en-2-ylspiro[3,4,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone
CID 123508845
(3-Ethylcyclohex-3-en-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124000481
1-[4-(2-Cyclobutylideneethyl)piperazin-1-yl]-2-ethyloctan-1-one
CID 134591316
(3-Methylcyclohexen-1-yl)-piperidin-1-ylmethanone
CID 137427589
N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide
CID 141118852

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 161010056) is (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone is CCC1CCC2=C(C=C(C(=O)N3CCN(C)CC3)C2)C1.
What is the InChIKey of (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is TXABHCSDBYVSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-13-4-5-14-11-16(12-15(14)10-13)17(20)19-8-6-18(2)7-9-19/h12-13H,3-11H2,1-2H3.
What are the key properties of (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 161010056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).