(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone

C15H22N2O2 — CID 82246394

IUPAC(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCNCC1C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)13-10-16-8-9-17(13)15(18)12-6-4-5-7-14(12)19-3/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyQZOYDPJDIXGMNA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds3

About (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone

(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 82246394) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
PubChem CID82246394
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCNCC1C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)13-10-16-8-9-17(13)15(18)12-6-4-5-7-14(12)19-3/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyQZOYDPJDIXGMNA-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
(2-methoxyphenyl)-(2-propan-2-ylaziridin-1-yl)methanone
CID 139985368
(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82247226
(2-chlorophenyl)-(2-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 82249160
(2-methoxyphenyl)-[2-(2-methylpropyl)-1,4-diazepan-1-yl]methanone
CID 82250775
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
(2-methoxyphenyl)-[2-(pyridin-2-yloxymethyl)piperazin-1-yl]methanone
CID 91561336
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073007

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone (CID 82246394) is (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone is COc1ccccc1C(=O)N1CCNCC1C(C)C.
What is the InChIKey of (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is QZOYDPJDIXGMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)13-10-16-8-9-17(13)15(18)12-6-4-5-7-14(12)19-3/h4-7,11,13,16H,8-10H2,1-3H3.
What are the key properties of (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 82246394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).