[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C24H33N3O2 — CID 120732723

IUPAC[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCN(Cc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1)C(C)C
InChIInChI=1S/C24H33N3O2/c1-5-26(18(2)3)17-19-10-12-20(13-11-19)24(28)27-15-14-25-16-22(27)21-8-6-7-9-23(21)29-4/h6-13,18,22,25H,5,14-17H2,1-4H3
InChIKeyDPLDBNMYSYDYLP-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.71
Rot. Bonds7

About [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120732723) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120732723
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCN(Cc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1)C(C)C
InChIInChI=1S/C24H33N3O2/c1-5-26(18(2)3)17-19-10-12-20(13-11-19)24(28)27-15-14-25-16-22(27)21-8-6-7-9-23(21)29-4/h6-13,18,22,25H,5,14-17H2,1-4H3
InChIKeyDPLDBNMYSYDYLP-UHFFFAOYSA-N
XLogP3.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride
CID 120753973
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733542
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 120734009

Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120732723) is [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is CCN(Cc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1)C(C)C.
What is the InChIKey of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is DPLDBNMYSYDYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-26(18(2)3)17-19-10-12-20(13-11-19)24(28)27-15-14-25-16-22(27)21-8-6-7-9-23(21)29-4/h6-13,18,22,25H,5,14-17H2,1-4H3.
What are the key properties of [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120732723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).