2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

C18H34N4O2 — CID 86815307

IUPAC2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCC1(C)CCN(/C(=N\CC(=O)N(C)C)NC2CCCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(14-24-4)9-11-22(12-10-18)17(19-13-16(23)21(2)3)20-15-7-5-6-8-15/h15H,5-14H2,1-4H3,(H,19,20)
InChIKeyVIHYSUKWYJSJNG-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.71
Rot. Bonds5

About 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 86815307) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
PubChem CID86815307
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCC1(C)CCN(/C(=N\CC(=O)N(C)C)NC2CCCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(14-24-4)9-11-22(12-10-18)17(19-13-16(23)21(2)3)20-15-7-5-6-8-15/h15H,5-14H2,1-4H3,(H,19,20)
InChIKeyVIHYSUKWYJSJNG-UHFFFAOYSA-N
XLogP1.71
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (CID 86815307) is 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is COCC1(C)CCN(/C(=N\CC(=O)N(C)C)NC2CCCC2)CC1.
What is the InChIKey of 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is VIHYSUKWYJSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-18(14-24-4)9-11-22(12-10-18)17(19-13-16(23)21(2)3)20-15-7-5-6-8-15/h15H,5-14H2,1-4H3,(H,19,20).
What are the key properties of 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 338.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 86815307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).