(4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone

C16H25ClN4O — CID 166676837

IUPAC(4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone
SMILESCCN(C)CCN1CCN(C(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C16H25ClN4O/c1-3-19(2)6-7-20-8-10-21(11-9-20)16(22)14-5-4-13(18)12-15(14)17/h4-5,12H,3,6-11,18H2,1-2H3
InChIKeyYDLOQWSOAAMELG-UHFFFAOYSA-N
MW324.86 g/mol
LogP1.63
Rot. Bonds5

About (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone

(4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone (PubChem CID 166676837) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone
PubChem CID166676837
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name(4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone
SMILESCCN(C)CCN1CCN(C(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C16H25ClN4O/c1-3-19(2)6-7-20-8-10-21(11-9-20)16(22)14-5-4-13(18)12-15(14)17/h4-5,12H,3,6-11,18H2,1-2H3
InChIKeyYDLOQWSOAAMELG-UHFFFAOYSA-N
XLogP1.63
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-diaminophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62887479
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(2-amino-3-chlorophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 115540648
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
(3-aminophenyl)-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119878601
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
(4-amino-2-chlorophenyl)-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone;oxalic acid
CID 23284988
(4-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 57431451
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone (CID 166676837) is (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone is CCN(C)CCN1CCN(C(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone?
The InChIKey is YDLOQWSOAAMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-3-19(2)6-7-20-8-10-21(11-9-20)16(22)14-5-4-13(18)12-15(14)17/h4-5,12H,3,6-11,18H2,1-2H3.
What are the key properties of (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone?
(4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone has a molecular weight of 324.86 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-[4-[2-[ethyl(methyl)amino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166676837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).