2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide

C17H27N3O — CID 119946610

IUPAC2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCCCN1CCCCNC(=O)c1ccccc1N
InChIInChI=1S/C17H27N3O/c1-14-8-4-6-12-20(14)13-7-5-11-19-17(21)15-9-2-3-10-16(15)18/h2-3,9-10,14H,4-8,11-13,18H2,1H3,(H,19,21)
InChIKeyRFRSORDLQIDNKH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.65
Rot. Bonds6

About 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide

2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 119946610) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
PubChem CID119946610
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCCCN1CCCCNC(=O)c1ccccc1N
InChIInChI=1S/C17H27N3O/c1-14-8-4-6-12-20(14)13-7-5-11-19-17(21)15-9-2-3-10-16(15)18/h2-3,9-10,14H,4-8,11-13,18H2,1H3,(H,19,21)
InChIKeyRFRSORDLQIDNKH-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
CID 55717527
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
4-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]-2-sulfanylbenzamide
CID 107020528
6-hydrazinyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 62237824

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide (CID 119946610) is 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide is CC1CCCCN1CCCCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is RFRSORDLQIDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-8-4-6-12-20(14)13-7-5-11-19-17(21)15-9-2-3-10-16(15)18/h2-3,9-10,14H,4-8,11-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 119946610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).