N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide

C20H31N3O2 — CID 113114978

IUPACN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
SMILESCCCN(CCC(=O)N1CCN(c2cccc(C)c2C)CC1)C(C)=O
InChIInChI=1S/C20H31N3O2/c1-5-10-21(18(4)24)11-9-20(25)23-14-12-22(13-15-23)19-8-6-7-16(2)17(19)3/h6-8H,5,9-15H2,1-4H3
InChIKeyBIWGDZVVEOBLKL-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.60
Rot. Bonds6

About N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide (PubChem CID 113114978) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
PubChem CID113114978
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
SMILESCCCN(CCC(=O)N1CCN(c2cccc(C)c2C)CC1)C(C)=O
InChIInChI=1S/C20H31N3O2/c1-5-10-21(18(4)24)11-9-20(25)23-14-12-22(13-15-23)19-8-6-7-16(2)17(19)3/h6-8H,5,9-15H2,1-4H3
InChIKeyBIWGDZVVEOBLKL-UHFFFAOYSA-N
XLogP2.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120598
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113117312
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978811
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 2511652
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 109011710
5-bromo-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 67721117
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159665
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012790

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
The IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide (CID 113114978) is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide.
What is the SMILES notation for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
The canonical SMILES for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide is CCCN(CCC(=O)N1CCN(c2cccc(C)c2C)CC1)C(C)=O.
What is the InChIKey of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
The InChIKey is BIWGDZVVEOBLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-10-21(18(4)24)11-9-20(25)23-14-12-22(13-15-23)19-8-6-7-16(2)17(19)3/h6-8H,5,9-15H2,1-4H3.
What are the key properties of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide?
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide has a molecular weight of 345.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide is sourced from PubChem (CID 113114978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).