2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

C16H25N3O2 — CID 81368251

IUPAC2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc([C@@H](C)NCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(14-4-6-15(21-3)7-5-14)17-12-16(20)19-10-8-18(2)9-11-19/h4-7,13,17H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyKRXXGOBVOYXSET-CYBMUJFWSA-N
MW291.40 g/mol
LogP1.12
Rot. Bonds5

About 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 81368251) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID81368251
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc([C@@H](C)NCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(14-4-6-15(21-3)7-5-14)17-12-16(20)19-10-8-18(2)9-11-19/h4-7,13,17H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyKRXXGOBVOYXSET-CYBMUJFWSA-N
XLogP1.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60694356
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56799660
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 81368251) is 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is COc1ccc([C@@H](C)NCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KRXXGOBVOYXSET-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(14-4-6-15(21-3)7-5-14)17-12-16(20)19-10-8-18(2)9-11-19/h4-7,13,17H,8-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 81368251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).