2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide

C15H23N3O2 — CID 62901603

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H23N3O2/c1-3-12(15(16)19)17-8-10-18(11-9-17)13-6-4-5-7-14(13)20-2/h4-7,12H,3,8-11H2,1-2H3,(H2,16,19)
InChIKeyKYTCFJMKGWONCW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide (PubChem CID 62901603) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
PubChem CID62901603
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H23N3O2/c1-3-12(15(16)19)17-8-10-18(11-9-17)13-6-4-5-7-14(13)20-2/h4-7,12H,3,8-11H2,1-2H3,(H2,16,19)
InChIKeyKYTCFJMKGWONCW-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 41394791
3-[4-(2-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 60915055
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76883662
3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide
CID 67680253
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide (CID 62901603) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide is CCC(C(N)=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide?
The InChIKey is KYTCFJMKGWONCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12(15(16)19)17-8-10-18(11-9-17)13-6-4-5-7-14(13)20-2/h4-7,12H,3,8-11H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 62901603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).