ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone

C16H26N2O — CID 143519775

IUPACethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
SMILESCC.CCN1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O.C2H6/c1-3-15-7-9-16(10-8-15)14(17)13-6-4-5-12(2)11-13;1-2/h4-6,11H,3,7-10H2,1-2H3;1-2H3
InChIKeyVHPFGVMJLCWANR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds2

About ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone

ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone (PubChem CID 143519775) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Nameethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
PubChem CID143519775
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Nameethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
SMILESCC.CCN1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C14H20N2O.C2H6/c1-3-15-7-9-16(10-8-15)14(17)13-6-4-5-12(2)11-13;1-2/h4-6,11H,3,7-10H2,1-2H3;1-2H3
InChIKeyVHPFGVMJLCWANR-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
3-[4-(3-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 28705387
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
CID 110486128
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073778
3-[3-(4-ethylpiperazine-1-carbonyl)phenyl]prop-2-enoic acid
CID 76906517
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 71783046

Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone (CID 143519775) is ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone is CC.CCN1CCN(C(=O)c2cccc(C)c2)CC1.
What is the InChIKey of ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone?
The InChIKey is VHPFGVMJLCWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C2H6/c1-3-15-7-9-16(10-8-15)14(17)13-6-4-5-12(2)11-13;1-2/h4-6,11H,3,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone?
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone has a molecular weight of 262.40 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 143519775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).