1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one

C24H39N3O2 — CID 45233276

IUPAC1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(C)Cc3ccccc3OC)CC2)CC1
InChIInChI=1S/C24H39N3O2/c1-4-25-15-17-27(18-16-25)24(28)10-9-21-11-13-26(14-12-21)20(2)19-22-7-5-6-8-23(22)29-3/h5-8,20-21H,4,9-19H2,1-3H3
InChIKeyQUHAHJSNNZVQDS-UHFFFAOYSA-N
MW401.60 g/mol
LogP3.28
Rot. Bonds8

About 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one (PubChem CID 45233276) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one
PubChem CID45233276
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(C)Cc3ccccc3OC)CC2)CC1
InChIInChI=1S/C24H39N3O2/c1-4-25-15-17-27(18-16-25)24(28)10-9-21-11-13-26(14-12-21)20(2)19-22-7-5-6-8-23(22)29-3/h5-8,20-21H,4,9-19H2,1-3H3
InChIKeyQUHAHJSNNZVQDS-UHFFFAOYSA-N
XLogP3.28
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one with MolForge

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Related Compounds

1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one
CID 25275991
3-cyclopentyl-1-[4-[2-(2,6-dimethoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 136514101
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
methyl (4S)-4-[4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-yl]pentanoate
CID 42533077
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 113152128
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
CID 103975668
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 55116653
1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 142202294

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one (CID 45233276) is 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one is CCN1CCN(C(=O)CCC2CCN(C(C)Cc3ccccc3OC)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one?
The InChIKey is QUHAHJSNNZVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-4-25-15-17-27(18-16-25)24(28)10-9-21-11-13-26(14-12-21)20(2)19-22-7-5-6-8-23(22)29-3/h5-8,20-21H,4,9-19H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one has a molecular weight of 401.60 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 45233276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).