3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide

C16H25N3O — CID 119850765

IUPAC3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)CNC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-4-8-19(11-12)13(2)10-18-16(20)14-6-3-7-15(17)9-14/h3,6-7,9,12-13H,4-5,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyDJPQBIHFVKUYTI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide

3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 119850765) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID119850765
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCCN(C(C)CNC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-4-8-19(11-12)13(2)10-18-16(20)14-6-3-7-15(17)9-14/h3,6-7,9,12-13H,4-5,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyDJPQBIHFVKUYTI-UHFFFAOYSA-N
XLogP2.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethyl)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 100850955
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717834
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555
2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791
2-chloro-4-fluoro-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036175
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
CID 119850745
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide (CID 119850765) is 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is CC1CCCN(C(C)CNC(=O)c2cccc(N)c2)C1.
What is the InChIKey of 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is DJPQBIHFVKUYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-5-4-8-19(11-12)13(2)10-18-16(20)14-6-3-7-15(17)9-14/h3,6-7,9,12-13H,4-5,8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide?
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 119850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).