2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide

C15H22N4O2 — CID 60937478

IUPAC2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17-14(20)11-18-6-8-19(9-7-18)15(21)13-4-2-12(10-16)3-5-13/h2-5H,6-11,16H2,1H3,(H,17,20)
InChIKeyUHYHDNLLBHGBNK-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.35
Rot. Bonds4

About 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide

2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 60937478) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
PubChem CID60937478
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17-14(20)11-18-6-8-19(9-7-18)15(21)13-4-2-12(10-16)3-5-13/h2-5H,6-11,16H2,1H3,(H,17,20)
InChIKeyUHYHDNLLBHGBNK-UHFFFAOYSA-N
XLogP-0.35
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 114325955
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 103908954
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 134025795
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 78801385
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide (CID 60937478) is 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is UHYHDNLLBHGBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-14(20)11-18-6-8-19(9-7-18)15(21)13-4-2-12(10-16)3-5-13/h2-5H,6-11,16H2,1H3,(H,17,20).
What are the key properties of 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 290.37 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 60937478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).