2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide

C14H21N3O — CID 61376709

IUPAC2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCNc1ccccc1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C14H21N3O/c1-15-13-8-4-3-7-12(13)14(18)16-11-6-5-9-17(2)10-11/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyAAHNWKPTNHVAPT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.55
Rot. Bonds3

About 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide

2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 61376709) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID61376709
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCNc1ccccc1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C14H21N3O/c1-15-13-8-4-3-7-12(13)14(18)16-11-6-5-9-17(2)10-11/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyAAHNWKPTNHVAPT-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide (CID 61376709) is 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide is CNc1ccccc1C(=O)NC1CCCN(C)C1.
What is the InChIKey of 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is AAHNWKPTNHVAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-13-8-4-3-7-12(13)14(18)16-11-6-5-9-17(2)10-11/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide?
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 61376709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).