1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

C14H26N2O3 — CID 108569704

IUPAC1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)11-13(18)16-8-6-15(7-9-16)12(17)5-10-19-4/h5-11H2,1-4H3
InChIKeyNQVYNEBHVRNRQS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds4

About 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 108569704) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID108569704
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)11-13(18)16-8-6-15(7-9-16)12(17)5-10-19-4/h5-11H2,1-4H3
InChIKeyNQVYNEBHVRNRQS-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817886
3-methoxy-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108569718
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
3-methoxy-1-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108543720
methyl 3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 113221901
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108536861
4-(3,3-dimethylbutanoyl)piperazine-1-carbothioamide
CID 59072038
1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 62588731
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
1-(4-iodopiperazin-1-yl)-4-methoxybutan-1-one
CID 174268903

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 108569704) is 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is COCCC(=O)N1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is NQVYNEBHVRNRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)11-13(18)16-8-6-15(7-9-16)12(17)5-10-19-4/h5-11H2,1-4H3.
What are the key properties of 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 270.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 108569704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).