3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one

C15H23N3O2 — CID 60835678

IUPAC3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CC(C)N)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-12(16)10-15(19)18-8-6-17(7-9-18)13-4-3-5-14(11-13)20-2/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyLNWMJKOYAMUJFD-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one

3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one (PubChem CID 60835678) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
PubChem CID60835678
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CC(C)N)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-12(16)10-15(19)18-8-6-17(7-9-18)13-4-3-5-14(11-13)20-2/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyLNWMJKOYAMUJFD-UHFFFAOYSA-N
XLogP1.08
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
3-amino-1-[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]butan-1-one
CID 119883026
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
3-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]butan-1-one
CID 61260337
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
CID 46343081
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
(3R)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709296
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one (CID 60835678) is 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one is COc1cccc(N2CCN(C(=O)CC(C)N)CC2)c1.
What is the InChIKey of 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is LNWMJKOYAMUJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(16)10-15(19)18-8-6-17(7-9-18)13-4-3-5-14(11-13)20-2/h3-5,11-12H,6-10,16H2,1-2H3.
What are the key properties of 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one?
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 60835678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).