4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide

C15H21N3O3 — CID 119471304

IUPAC4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide
SMILESCC1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-11-10-17-7-8-18(11)14(19)6-9-21-13-4-2-12(3-5-13)15(16)20/h2-5,11,17H,6-10H2,1H3,(H2,16,20)
InChIKeyNOFCVMIYKSAPKX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.37
Rot. Bonds5

About 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide

4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide (PubChem CID 119471304) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide
PubChem CID119471304
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide
SMILESCC1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H21N3O3/c1-11-10-17-7-8-18(11)14(19)6-9-21-13-4-2-12(3-5-13)15(16)20/h2-5,11,17H,6-10H2,1H3,(H2,16,20)
InChIKeyNOFCVMIYKSAPKX-UHFFFAOYSA-N
XLogP0.37
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
CID 120735273
4-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropoxy]benzamide;hydrochloride
CID 120569945
5-(4-bromophenoxy)-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119470273
3-(3-methylphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672416
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119473075
4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 124699526
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 119632269
4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 120732884
1-(2-methylpiperazin-1-yl)-3-(2-nitrophenoxy)propan-1-one
CID 119472090

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide (CID 119471304) is 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide is CC1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide?
The InChIKey is NOFCVMIYKSAPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-10-17-7-8-18(11)14(19)6-9-21-13-4-2-12(3-5-13)15(16)20/h2-5,11,17H,6-10H2,1H3,(H2,16,20).
What are the key properties of 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide?
4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide is sourced from PubChem (CID 119471304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).