2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one

C20H30N2O3 — CID 110801450

IUPAC2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)ccc1OC(C)C
InChIInChI=1S/C20H30N2O3/c1-14(2)25-17-8-7-16(13-15(17)3)18(23)21-9-11-22(12-10-21)19(24)20(4,5)6/h7-8,13-14H,9-12H2,1-6H3
InChIKeyJEAKTKZWCTVHAM-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.11
Rot. Bonds3

About 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110801450) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110801450
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)ccc1OC(C)C
InChIInChI=1S/C20H30N2O3/c1-14(2)25-17-8-7-16(13-15(17)3)18(23)21-9-11-22(12-10-21)19(24)20(4,5)6/h7-8,13-14H,9-12H2,1-6H3
InChIKeyJEAKTKZWCTVHAM-UHFFFAOYSA-N
XLogP3.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 110762331
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110815296
1-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021434
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473776
(3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 17175880
2-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-ethoxyphenoxy]acetic acid
CID 119180326
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108534968
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
2,2-dimethyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110801488

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one (CID 110801450) is 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one is Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)ccc1OC(C)C.
What is the InChIKey of 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is JEAKTKZWCTVHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)25-17-8-7-16(13-15(17)3)18(23)21-9-11-22(12-10-21)19(24)20(4,5)6/h7-8,13-14H,9-12H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 346.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110801450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).