(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one

C18H26N2O4 — CID 94636730

IUPAC(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-5-13(2)17(21)19-8-10-20(11-9-19)18(22)15-7-6-14(23-3)12-16(15)24-4/h6-7,12-13H,5,8-11H2,1-4H3/t13-/m0/s1
InChIKeyDYFOMMOFZRVZNE-ZDUSSCGKSA-N
MW334.42 g/mol
LogP2.03
Rot. Bonds5

About (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one

(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 94636730) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID94636730
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-5-13(2)17(21)19-8-10-20(11-9-19)18(22)15-7-6-14(23-3)12-16(15)24-4/h6-7,12-13H,5,8-11H2,1-4H3/t13-/m0/s1
InChIKeyDYFOMMOFZRVZNE-ZDUSSCGKSA-N
XLogP2.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119300870
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814587

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one (CID 94636730) is (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one is CC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1.
What is the InChIKey of (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is DYFOMMOFZRVZNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-13(2)17(21)19-8-10-20(11-9-19)18(22)15-7-6-14(23-3)12-16(15)24-4/h6-7,12-13H,5,8-11H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one?
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 334.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 94636730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).