2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide

C16H31N3O — CID 120775174

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCC(N)C(C)(C)C1)C1CC1
InChIInChI=1S/C16H31N3O/c1-12(2)9-19(13-5-6-13)15(20)10-18-8-7-14(17)16(3,4)11-18/h12-14H,5-11,17H2,1-4H3
InChIKeyWOKVRMUCGCUDKK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide (PubChem CID 120775174) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
PubChem CID120775174
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCC(N)C(C)(C)C1)C1CC1
InChIInChI=1S/C16H31N3O/c1-12(2)9-19(13-5-6-13)15(20)10-18-8-7-14(17)16(3,4)11-18/h12-14H,5-11,17H2,1-4H3
InChIKeyWOKVRMUCGCUDKK-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide (CID 120775174) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN1CCC(N)C(C)(C)C1)C1CC1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
The InChIKey is WOKVRMUCGCUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)9-19(13-5-6-13)15(20)10-18-8-7-14(17)16(3,4)11-18/h12-14H,5-11,17H2,1-4H3.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 120775174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).