2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

C18H29N3O — CID 119946551

IUPAC2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccccc2N)C(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)17(21-10-8-14(3)9-11-21)12-20-18(22)15-6-4-5-7-16(15)19/h4-7,13-14,17H,8-12,19H2,1-3H3,(H,20,22)
InChIKeyNPFHJSAHHIUGHP-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.76
Rot. Bonds5

About 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide

2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 119946551) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
PubChem CID119946551
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccccc2N)C(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-13(2)17(21-10-8-14(3)9-11-21)12-20-18(22)15-6-4-5-7-16(15)19/h4-7,13-14,17H,8-12,19H2,1-3H3,(H,20,22)
InChIKeyNPFHJSAHHIUGHP-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.76
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

2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
CID 55658916
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
2-methyl-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-4-nitrobenzamide
CID 60616193
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 39113519
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 120645515
N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(2-nitrophenyl)acetamide
CID 51941754
2-iodo-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-4-nitrobenzamide
CID 60621704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide (CID 119946551) is 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is CC1CCN(C(CNC(=O)c2ccccc2N)C(C)C)CC1.
What is the InChIKey of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is NPFHJSAHHIUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)17(21-10-8-14(3)9-11-21)12-20-18(22)15-6-4-5-7-16(15)19/h4-7,13-14,17H,8-12,19H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide?
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 119946551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).