N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide

C23H30N4O2 — CID 113120598

IUPACN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2cccc(C)c2C)CC1)Cc1ccncc1
InChIInChI=1S/C23H30N4O2/c1-18-5-4-6-22(19(18)2)25-13-15-26(16-14-25)23(29)9-12-27(20(3)28)17-21-7-10-24-11-8-21/h4-8,10-11H,9,12-17H2,1-3H3
InChIKeyJZDZICJWMJHFDR-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.79
Rot. Bonds6

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

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113120598) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113120598
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2cccc(C)c2C)CC1)Cc1ccncc1
InChIInChI=1S/C23H30N4O2/c1-18-5-4-6-22(19(18)2)25-13-15-26(16-14-25)23(29)9-12-27(20(3)28)17-21-7-10-24-11-8-21/h4-8,10-11H,9,12-17H2,1-3H3
InChIKeyJZDZICJWMJHFDR-UHFFFAOYSA-N
XLogP2.79
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114978
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113117312
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120600
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
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
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 2511652
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113162197
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide (CID 113120598) is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CCC(=O)N1CCN(c2cccc(C)c2C)CC1)Cc1ccncc1.
What is the InChIKey of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is JZDZICJWMJHFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-5-4-6-22(19(18)2)25-13-15-26(16-14-25)23(29)9-12-27(20(3)28)17-21-7-10-24-11-8-21/h4-8,10-11H,9,12-17H2,1-3H3.
What are the key properties of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113120598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).