4-(4-methylpiperazine-1-carbonyl)benzamide

C13H17N3O2 — CID 60645843

IUPAC4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C13H17N3O2/c1-15-6-8-16(9-7-15)13(18)11-4-2-10(3-5-11)12(14)17/h2-5H,6-9H2,1H3,(H2,14,17)
InChIKeyWDEODLZVLBZHCG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.17
Rot. Bonds2

About 4-(4-methylpiperazine-1-carbonyl)benzamide

4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 60645843) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID60645843
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C13H17N3O2/c1-15-6-8-16(9-7-15)13(18)11-4-2-10(3-5-11)12(14)17/h2-5H,6-9H2,1H3,(H2,14,17)
InChIKeyWDEODLZVLBZHCG-UHFFFAOYSA-N
XLogP0.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
CID 168533454
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
(4-methylpiperazin-1-yl)-(4-prop-1-ynylphenyl)methanone
CID 123516187
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid
CID 43521327
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine
CID 168591843
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)benzamide (CID 60645843) is 4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is WDEODLZVLBZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-6-8-16(9-7-15)13(18)11-4-2-10(3-5-11)12(14)17/h2-5H,6-9H2,1H3,(H2,14,17).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)benzamide?
4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 60645843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).