2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide

C14H22N4O — CID 61305728

IUPAC2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide
SMILESCN(C)C1CCN(c2ccc(N)c(C(N)=O)c2)CC1
InChIInChI=1S/C14H22N4O/c1-17(2)10-5-7-18(8-6-10)11-3-4-13(15)12(9-11)14(16)19/h3-4,9-10H,5-8,15H2,1-2H3,(H2,16,19)
InChIKeyWNTNZGGAFITLLX-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.90
Rot. Bonds3

About 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide

2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide (PubChem CID 61305728) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide
PubChem CID61305728
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide
SMILESCN(C)C1CCN(c2ccc(N)c(C(N)=O)c2)CC1
InChIInChI=1S/C14H22N4O/c1-17(2)10-5-7-18(8-6-10)11-3-4-13(15)12(9-11)14(16)19/h3-4,9-10H,5-8,15H2,1-2H3,(H2,16,19)
InChIKeyWNTNZGGAFITLLX-UHFFFAOYSA-N
XLogP0.90
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide?
The IUPAC name of 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide (CID 61305728) is 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide?
The canonical SMILES for 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide is CN(C)C1CCN(c2ccc(N)c(C(N)=O)c2)CC1.
What is the InChIKey of 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide?
The InChIKey is WNTNZGGAFITLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)10-5-7-18(8-6-10)11-3-4-13(15)12(9-11)14(16)19/h3-4,9-10H,5-8,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide?
2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 61305728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).