3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C16H25N3O2 — CID 114514863

IUPAC3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCOc1c(N)cccc1C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-19-10-7-12(8-11-19)6-9-18-16(20)13-4-3-5-14(17)15(13)21-2/h3-5,12H,6-11,17H2,1-2H3,(H,18,20)
InChIKeyPYELFUHAVWJMLM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.74
Rot. Bonds5

About 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 114514863) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID114514863
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCOc1c(N)cccc1C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-19-10-7-12(8-11-19)6-9-18-16(20)13-4-3-5-14(17)15(13)21-2/h3-5,12H,6-11,17H2,1-2H3,(H,18,20)
InChIKeyPYELFUHAVWJMLM-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
tert-butyl N-[3-[(3-amino-2-methoxybenzoyl)amino]propyl]carbamate
CID 104932608
6-(4-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131911083
2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115678882

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 114514863) is 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is COc1c(N)cccc1C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is PYELFUHAVWJMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19-10-7-12(8-11-19)6-9-18-16(20)13-4-3-5-14(17)15(13)21-2/h3-5,12H,6-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 114514863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).