2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide

C16H25N3O — CID 107162850

IUPAC2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-12-5-4-6-13(17)14(12)15(20)18-11-16(2)7-9-19(3)10-8-16/h4-6H,7-11,17H2,1-3H3,(H,18,20)
InChIKeyHCZGVSCHQRAGIQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide

2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide (PubChem CID 107162850) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
PubChem CID107162850
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-12-5-4-6-13(17)14(12)15(20)18-11-16(2)7-9-19(3)10-8-16/h4-6H,7-11,17H2,1-3H3,(H,18,20)
InChIKeyHCZGVSCHQRAGIQ-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.04
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

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CID 94411
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CID 2072
2-Amino-N-methylbenzamide
CID 308072
2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
2-amino-N-(1-phenylethyl)benzamide
CID 2797236
2-amino-N-benzylbenzamide
CID 230755
2-amino-N,N-diethylbenzamide
CID 10104045
5-amino-3,4-dihydroisoquinolin-1(2H)-one
CID 18369509
5-Amino-3-Ethylisoquinolin-1(2h)-One
CID 71769159
5-Amino-3-Pentylisoquinolin-1(2h)-One
CID 71769292
2-Piperidinobenzamide
CID 335067
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide (CID 107162850) is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide?
The InChIKey is HCZGVSCHQRAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-5-4-6-13(17)14(12)15(20)18-11-16(2)7-9-19(3)10-8-16/h4-6H,7-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide?
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide is sourced from PubChem (CID 107162850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).