N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide

C16H26N4O — CID 16789447

IUPACN-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-3-19-8-10-20(11-9-19)13(2)16(21)18-15-6-4-14(12-17)5-7-15/h4-7,13H,3,8-12,17H2,1-2H3,(H,18,21)
InChIKeyBYBGOXNSHAAOOD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.11
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide

N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 16789447) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
PubChem CID16789447
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(C(C)C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-3-19-8-10-20(11-9-19)13(2)16(21)18-15-6-4-14(12-17)5-7-15/h4-7,13H,3,8-12,17H2,1-2H3,(H,18,21)
InChIKeyBYBGOXNSHAAOOD-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

4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
CID 71930636
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 17446120
3-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbutanamide;trihydrochloride
CID 120504393
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797242
2-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 75790691

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide (CID 16789447) is N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(C(C)C(=O)Nc2ccc(CN)cc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is BYBGOXNSHAAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-19-8-10-20(11-9-19)13(2)16(21)18-15-6-4-14(12-17)5-7-15/h4-7,13H,3,8-12,17H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide?
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-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-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 16789447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).