2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide

C16H29N3O — CID 103442062

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(C)CC1CN)C1=CCCC1
InChIInChI=1S/C16H29N3O/c1-3-19(14-6-4-5-7-14)16(20)12-18-9-8-13(2)10-15(18)11-17/h6,13,15H,3-5,7-12,17H2,1-2H3
InChIKeyOMXOBXJNPMWBMY-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.96
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 103442062) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID103442062
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(C)CC1CN)C1=CCCC1
InChIInChI=1S/C16H29N3O/c1-3-19(14-6-4-5-7-14)16(20)12-18-9-8-13(2)10-15(18)11-17/h6,13,15H,3-5,7-12,17H2,1-2H3
InChIKeyOMXOBXJNPMWBMY-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 103442062) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CN1CCC(C)CC1CN)C1=CCCC1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is OMXOBXJNPMWBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-19(14-6-4-5-7-14)16(20)12-18-9-8-13(2)10-15(18)11-17/h6,13,15H,3-5,7-12,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 279.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 103442062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).