2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

C15H22ClN3O — CID 81372026

IUPAC2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC[C@H](NCC(=O)N1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-12(13-4-3-5-14(16)10-13)17-11-15(20)19-8-6-18(2)7-9-19/h3-5,10,12,17H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyZMFVEGJEBNDWTG-LBPRGKRZSA-N
MW295.81 g/mol
LogP1.76
Rot. Bonds4

About 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 81372026) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID81372026
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC[C@H](NCC(=O)N1CCN(C)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-12(13-4-3-5-14(16)10-13)17-11-15(20)19-8-6-18(2)7-9-19/h3-5,10,12,17H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyZMFVEGJEBNDWTG-LBPRGKRZSA-N
XLogP1.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9307678
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81376901
2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60694356
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8599291
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
CID 9181207

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 81372026) is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is C[C@H](NCC(=O)N1CCN(C)CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZMFVEGJEBNDWTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12(13-4-3-5-14(16)10-13)17-11-15(20)19-8-6-18(2)7-9-19/h3-5,10,12,17H,6-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 295.81 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 81372026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).