3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

C20H33N3O2 — CID 109033107

IUPAC3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCCN(CCC)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H33N3O2/c1-4-11-21(12-5-2)13-10-20(24)23-16-14-22(15-17-23)18-6-8-19(25-3)9-7-18/h6-9H,4-5,10-17H2,1-3H3
InChIKeyQDEMWFHVEUZSEE-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.86
Rot. Bonds9

About 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 109033107) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID109033107
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCCN(CCC)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H33N3O2/c1-4-11-21(12-5-2)13-10-20(24)23-16-14-22(15-17-23)18-6-8-19(25-3)9-7-18/h6-9H,4-5,10-17H2,1-3H3
InChIKeyQDEMWFHVEUZSEE-UHFFFAOYSA-N
XLogP2.86
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
3-(4-ethylpiperazin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109017688
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-propylbenzenesulfonamide
CID 55412015
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 109033107) is 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is CCCN(CCC)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is QDEMWFHVEUZSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-11-21(12-5-2)13-10-20(24)23-16-14-22(15-17-23)18-6-8-19(25-3)9-7-18/h6-9H,4-5,10-17H2,1-3H3.
What are the key properties of 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 347.50 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109033107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).