(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

C16H25N3O — CID 104547346

IUPAC(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccccc2CCNC)CC1
InChIInChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)16(20)15-7-5-4-6-14(15)8-9-17-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyNCTIDIMNYVISDV-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.23
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 104547346) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID104547346
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccccc2CCNC)CC1
InChIInChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)16(20)15-7-5-4-6-14(15)8-9-17-2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyNCTIDIMNYVISDV-UHFFFAOYSA-N
XLogP1.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
(3-ethyl-3-hydroxyazetidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 107219676
[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313894
(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957626
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957473
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 104547346) is (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is CCN1CCN(C(=O)c2ccccc2CCNC)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is NCTIDIMNYVISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)16(20)15-7-5-4-6-14(15)8-9-17-2/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 104547346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).