(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone

C17H27N3O — CID 63605316

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
SMILESCCCNc1ccccc1C(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C17H27N3O/c1-4-10-18-16-9-7-6-8-15(16)17(21)20-12-11-19(5-2)14(3)13-20/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyZFXHZEKCMKEBBC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.67
Rot. Bonds5

About (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone

(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone (PubChem CID 63605316) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
PubChem CID63605316
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
SMILESCCCNc1ccccc1C(=O)N1CCN(CC)C(C)C1
InChIInChI=1S/C17H27N3O/c1-4-10-18-16-9-7-6-8-15(16)17(21)20-12-11-19(5-2)14(3)13-20/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyZFXHZEKCMKEBBC-UHFFFAOYSA-N
XLogP2.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165925
[4-(ethylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 81241066
(4-ethyl-3-methylpiperazin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103846837
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydrazinyl-5-methylphenyl)methanone
CID 63603579
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113345359
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094873
5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 63614567
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone (CID 63605316) is (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone is CCCNc1ccccc1C(=O)N1CCN(CC)C(C)C1.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone?
The InChIKey is ZFXHZEKCMKEBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-10-18-16-9-7-6-8-15(16)17(21)20-12-11-19(5-2)14(3)13-20/h6-9,14,18H,4-5,10-13H2,1-3H3.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone?
(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone has a molecular weight of 289.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone is sourced from PubChem (CID 63605316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).