4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide

C17H25N3O — CID 106631671

IUPAC4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CC2CCCCN2)C2CC2)cc1
InChIInChI=1S/C17H25N3O/c18-17(21)14-6-4-13(5-7-14)11-20(16-8-9-16)12-15-3-1-2-10-19-15/h4-7,15-16,19H,1-3,8-12H2,(H2,18,21)
InChIKeyNYMWAFHEBRGUQW-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.89
Rot. Bonds6

About 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide

4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide (PubChem CID 106631671) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
PubChem CID106631671
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CC2CCCCN2)C2CC2)cc1
InChIInChI=1S/C17H25N3O/c18-17(21)14-6-4-13(5-7-14)11-20(16-8-9-16)12-15-3-1-2-10-19-15/h4-7,15-16,19H,1-3,8-12H2,(H2,18,21)
InChIKeyNYMWAFHEBRGUQW-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519894
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641317
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621759
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621675
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide (CID 106631671) is 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide is NC(=O)c1ccc(CN(CC2CCCCN2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is NYMWAFHEBRGUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-17(21)14-6-4-13(5-7-14)11-20(16-8-9-16)12-15-3-1-2-10-19-15/h4-7,15-16,19H,1-3,8-12H2,(H2,18,21).
What are the key properties of 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide?
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 287.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 106631671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).