N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide

C12H25N3O — CID 43216392

IUPACN-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide
SMILESCN1CCC(NCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)9-13-10-5-7-15(4)8-6-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyXNXDWHGJVRPAHC-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds3

About N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide

N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide (PubChem CID 43216392) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide
PubChem CID43216392
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide
SMILESCN1CCC(NCC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)9-13-10-5-7-15(4)8-6-10/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyXNXDWHGJVRPAHC-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide (CID 43216392) is N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide is CN1CCC(NCC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide?
The InChIKey is XNXDWHGJVRPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)14-11(16)9-13-10-5-7-15(4)8-6-10/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-methylpiperidin-4-yl)amino]acetamide is sourced from PubChem (CID 43216392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).