5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide

C20H31N3O3 — CID 4637829

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CC(C)CC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H31N3O3/c1-4-9-21-19(24)14-16(2)15-20(25)23-12-10-22(11-13-23)17-7-5-6-8-18(17)26-3/h5-8,16H,4,9-15H2,1-3H3,(H,21,24)
InChIKeyIHSVAIPJVJRVLB-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.29
Rot. Bonds8

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide

5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide (PubChem CID 4637829) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
PubChem CID4637829
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CC(C)CC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H31N3O3/c1-4-9-21-19(24)14-16(2)15-20(25)23-12-10-22(11-13-23)17-7-5-6-8-18(17)26-3/h5-8,16H,4,9-15H2,1-3H3,(H,21,24)
InChIKeyIHSVAIPJVJRVLB-UHFFFAOYSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111133838
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
1-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970253
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144318
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylbutylamino)propan-1-one
CID 109029444
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide (CID 4637829) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide is CCCNC(=O)CC(C)CC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide?
The InChIKey is IHSVAIPJVJRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-9-21-19(24)14-16(2)15-20(25)23-12-10-22(11-13-23)17-7-5-6-8-18(17)26-3/h5-8,16H,4,9-15H2,1-3H3,(H,21,24).
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide has a molecular weight of 361.49 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methyl-5-oxo-N-propylpentanamide is sourced from PubChem (CID 4637829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).