1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one

C20H32N2O2 — CID 142202294

IUPAC1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
SMILESCCCC(CC)N1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C20H32N2O2/c1-4-8-18(5-2)21-13-15-22(16-14-21)20(23)12-11-17-9-6-7-10-19(17)24-3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3
InChIKeyLTXQGKPZSBNFMT-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.35
Rot. Bonds8

About 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one

1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one (PubChem CID 142202294) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
PubChem CID142202294
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
SMILESCCCC(CC)N1CCN(C(=O)CCc2ccccc2OC)CC1
InChIInChI=1S/C20H32N2O2/c1-4-8-18(5-2)21-13-15-22(16-14-21)20(23)12-11-17-9-6-7-10-19(17)24-3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3
InChIKeyLTXQGKPZSBNFMT-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
(2S)-4-[3-(2-methoxyphenyl)propanoyl]-1-methylpiperazine-2-carboxylic acid
CID 95194118
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one (CID 142202294) is 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one is CCCC(CC)N1CCN(C(=O)CCc2ccccc2OC)CC1.
What is the InChIKey of 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is LTXQGKPZSBNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-8-18(5-2)21-13-15-22(16-14-21)20(23)12-11-17-9-6-7-10-19(17)24-3/h6-7,9-10,18H,4-5,8,11-16H2,1-3H3.
What are the key properties of 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one?
1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 332.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 142202294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).