2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide

C15H23ClN4O — CID 103353022

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCCC1CCN(CC(=O)Nc2cccnc2Cl)C(CN)C1
InChIInChI=1S/C15H23ClN4O/c1-2-11-5-7-20(12(8-11)9-17)10-14(21)19-13-4-3-6-18-15(13)16/h3-4,6,11-12H,2,5,7-10,17H2,1H3,(H,19,21)
InChIKeyIJOYCJJLIGDBDZ-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.12
Rot. Bonds5

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 103353022) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID103353022
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCCC1CCN(CC(=O)Nc2cccnc2Cl)C(CN)C1
InChIInChI=1S/C15H23ClN4O/c1-2-11-5-7-20(12(8-11)9-17)10-14(21)19-13-4-3-6-18-15(13)16/h3-4,6,11-12H,2,5,7-10,17H2,1H3,(H,19,21)
InChIKeyIJOYCJJLIGDBDZ-UHFFFAOYSA-N
XLogP2.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 115486117
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(4-bromophenyl)acetamide
CID 103353106
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
CID 103353042
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681343
N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 103353103
N-(2-chloro-3-pyridinyl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 95145263
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63841061
N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide
CID 56805855
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 103352926
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 103441774
N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide (CID 103353022) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is CCC1CCN(CC(=O)Nc2cccnc2Cl)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is IJOYCJJLIGDBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-2-11-5-7-20(12(8-11)9-17)10-14(21)19-13-4-3-6-18-15(13)16/h3-4,6,11-12H,2,5,7-10,17H2,1H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 310.83 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 103353022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).