N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide

C16H26N4O — CID 16793720

IUPACN-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-8-10-20(11-9-19)7-6-16(21)18-15-5-3-4-14(12-15)13-17/h3-5,12H,2,6-11,13,17H2,1H3,(H,18,21)
InChIKeyROMJONGYTSYYPR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.11
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 16793720) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
PubChem CID16793720
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-8-10-20(11-9-19)7-6-16(21)18-15-5-3-4-14(12-15)13-17/h3-5,12H,2,6-11,13,17H2,1H3,(H,18,21)
InChIKeyROMJONGYTSYYPR-UHFFFAOYSA-N
XLogP1.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
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N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592491
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
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N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide
CID 63215911
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide (CID 16793720) is N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(CCC(=O)Nc2cccc(CN)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is ROMJONGYTSYYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-19-8-10-20(11-9-19)7-6-16(21)18-15-5-3-4-14(12-15)13-17/h3-5,12H,2,6-11,13,17H2,1H3,(H,18,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 16793720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).