N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide

C16H26N4O — CID 63603834

IUPACN-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccccc2CN)CCN1C
InChIInChI=1S/C16H26N4O/c1-13-12-20(10-9-19(13)2)8-7-16(21)18-15-6-4-3-5-14(15)11-17/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyKPECYJDFRAELHO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.11
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide

N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide (PubChem CID 63603834) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide
PubChem CID63603834
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide
SMILESCC1CN(CCC(=O)Nc2ccccc2CN)CCN1C
InChIInChI=1S/C16H26N4O/c1-13-12-20(10-9-19(13)2)8-7-16(21)18-15-6-4-3-5-14(15)11-17/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyKPECYJDFRAELHO-UHFFFAOYSA-N
XLogP1.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62986882
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
2-[2-(aminomethyl)phenyl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 81322397
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide (CID 63603834) is N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide is CC1CN(CCC(=O)Nc2ccccc2CN)CCN1C.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide?
The InChIKey is KPECYJDFRAELHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-12-20(10-9-19(13)2)8-7-16(21)18-15-6-4-3-5-14(15)11-17/h3-6,13H,7-12,17H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide?
N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 63603834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).