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

C17H27N3O — CID 62124242

IUPACN-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2cccc(CN)c2)C1C
InChIInChI=1S/C17H27N3O/c1-13-5-4-9-20(14(13)2)10-8-17(21)19-16-7-3-6-15(11-16)12-18/h3,6-7,11,13-14H,4-5,8-10,12,18H2,1-2H3,(H,19,21)
InChIKeyUWDRSOYPCZCFEZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds5

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

N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide (PubChem CID 62124242) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
PubChem CID62124242
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2cccc(CN)c2)C1C
InChIInChI=1S/C17H27N3O/c1-13-5-4-9-20(14(13)2)10-8-17(21)19-16-7-3-6-15(11-16)12-18/h3,6-7,11,13-14H,4-5,8-10,12,18H2,1-2H3,(H,19,21)
InChIKeyUWDRSOYPCZCFEZ-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
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-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylpyrrolidin-1-yl)propanamide
CID 63215911
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(5-amino-2-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124048
N-(2-amino-4-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124962
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141
N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114592196

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide (CID 62124242) is N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide is CC1CCCN(CCC(=O)Nc2cccc(CN)c2)C1C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide?
The InChIKey is UWDRSOYPCZCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-5-4-9-20(14(13)2)10-8-17(21)19-16-7-3-6-15(11-16)12-18/h3,6-7,11,13-14H,4-5,8-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 62124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).