1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone

C16H25N3O2 — CID 60648289

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-13-16(20)19-11-9-18(10-12-19)14-4-6-15(21-2)7-5-14/h4-7,17H,3,8-13H2,1-2H3
InChIKeyQLXAJCJBIVJVMT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.34
Rot. Bonds6

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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone (PubChem CID 60648289) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
PubChem CID60648289
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-13-16(20)19-11-9-18(10-12-19)14-4-6-15(21-2)7-5-14/h4-7,17H,3,8-13H2,1-2H3
InChIKeyQLXAJCJBIVJVMT-UHFFFAOYSA-N
XLogP1.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxohexanamide
CID 113097929
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996776
2-[2-(1H-indol-3-yl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 109002314
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propylpropanamide
CID 108957060
3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033107
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone (CID 60648289) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone is CCCNCC(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone?
The InChIKey is QLXAJCJBIVJVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-8-17-13-16(20)19-11-9-18(10-12-19)14-4-6-15(21-2)7-5-14/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone is sourced from PubChem (CID 60648289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).