2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide

C14H29N3O2 — CID 112622625

IUPAC2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCC(OC)CC1CN
InChIInChI=1S/C14H29N3O2/c1-4-5-11(2)16-14(18)10-17-7-6-13(19-3)8-12(17)9-15/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyYABBINYLAOKJFQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.73
Rot. Bonds7

About 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide (PubChem CID 112622625) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
PubChem CID112622625
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCC(OC)CC1CN
InChIInChI=1S/C14H29N3O2/c1-4-5-11(2)16-14(18)10-17-7-6-13(19-3)8-12(17)9-15/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyYABBINYLAOKJFQ-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide (CID 112622625) is 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1CCC(OC)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is YABBINYLAOKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-5-11(2)16-14(18)10-17-7-6-13(19-3)8-12(17)9-15/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide?
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 271.40 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 112622625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).