N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

C16H26N4O — CID 62545512

IUPACN-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCN1CCCC(N(C)CC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C16H26N4O/c1-19-8-4-7-15(11-19)20(2)12-16(21)18-14-6-3-5-13(9-14)10-17/h3,5-6,9,15H,4,7-8,10-12,17H2,1-2H3,(H,18,21)
InChIKeyMPDBQHLUWSIGBN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.11
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (PubChem CID 62545512) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
PubChem CID62545512
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCN1CCCC(N(C)CC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C16H26N4O/c1-19-8-4-7-15(11-19)20(2)12-16(21)18-14-6-3-5-13(9-14)10-17/h3,5-6,9,15H,4,7-8,10-12,17H2,1-2H3,(H,18,21)
InChIKeyMPDBQHLUWSIGBN-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-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
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-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (CID 62545512) is N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is CN1CCCC(N(C)CC(=O)Nc2cccc(CN)c2)C1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The InChIKey is MPDBQHLUWSIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-8-4-7-15(11-19)20(2)12-16(21)18-14-6-3-5-13(9-14)10-17/h3,5-6,9,15H,4,7-8,10-12,17H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide 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-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is sourced from PubChem (CID 62545512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).