1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

C19H28N2O2 — CID 110708802

IUPAC1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(C)C2CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-15(16-7-8-16)20-11-13-21(14-12-20)19(22)10-9-17-5-3-4-6-18(17)23-2/h3-6,15-16H,7-14H2,1-2H3
InChIKeyLERMXLGGPADBBK-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.57
Rot. Bonds6

About 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 110708802) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID110708802
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(C)C2CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-15(16-7-8-16)20-11-13-21(14-12-20)19(22)10-9-17-5-3-4-6-18(17)23-2/h3-6,15-16H,7-14H2,1-2H3
InChIKeyLERMXLGGPADBBK-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 142202294
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-phenylpiperazin-1-yl)propan-1-one
CID 110755813
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
1-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110399849

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 110708802) is 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CCN(C(C)C2CC2)CC1.
What is the InChIKey of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is LERMXLGGPADBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(16-7-8-16)20-11-13-21(14-12-20)19(22)10-9-17-5-3-4-6-18(17)23-2/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110708802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).