(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone

C16H24N2O2 — CID 82248431

IUPAC(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCNC(CC(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-13-11-18(9-8-17-13)16(19)14-6-4-5-7-15(14)20-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyMIWWYVYRCVFNTF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds4

About (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone

(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 82248431) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID82248431
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCNC(CC(C)C)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-13-11-18(9-8-17-13)16(19)14-6-4-5-7-15(14)20-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyMIWWYVYRCVFNTF-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-(2-methoxyphenyl)methanone
CID 53385289
(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246689
methyl 2-[3-(2-methylpropyl)piperazin-1-yl]benzoate
CID 75088513
(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82252121
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
2-methoxy-1-[3-(2-methylpropyl)piperazin-1-yl]ethanone
CID 82241766
(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82249342
(2-methoxyphenyl)-[2-(2-methylpropyl)-1,4-diazepan-1-yl]methanone
CID 82250775
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (CID 82248431) is (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCNC(CC(C)C)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is MIWWYVYRCVFNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)10-13-11-18(9-8-17-13)16(19)14-6-4-5-7-15(14)20-3/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82248431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).