N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide

C15H22N4O2 — CID 63594738

IUPACN-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
SMILESCC1(C)C(=O)NCCN1CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H22N4O2/c1-15(2)14(21)17-7-8-19(15)10-13(20)18-12-5-3-11(9-16)4-6-12/h3-6H,7-10,16H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyWFNHUDGHFZJAIQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.29
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide

N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 63594738) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
PubChem CID63594738
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
SMILESCC1(C)C(=O)NCCN1CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H22N4O2/c1-15(2)14(21)17-7-8-19(15)10-13(20)18-12-5-3-11(9-16)4-6-12/h3-6H,7-10,16H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyWFNHUDGHFZJAIQ-UHFFFAOYSA-N
XLogP0.29
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 56542530
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 56574726
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
CID 102662978
N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283923
2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide
CID 65462191
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
4-[2-(4-aminophenyl)ethyl]-3,3-dimethylpiperazin-2-one
CID 63595398
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103494265
4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 63723394
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592490
N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246107

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide (CID 63594738) is N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide is CC1(C)C(=O)NCCN1CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is WFNHUDGHFZJAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2)14(21)17-7-8-19(15)10-13(20)18-12-5-3-11(9-16)4-6-12/h3-6H,7-10,16H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 63594738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).