4-(2-aminoethyl)piperidine-1-carboxamide

C8H17N3O — CID 21066091

IUPAC4-(2-aminoethyl)piperidine-1-carboxamide
SMILESNCCC1CCN(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c9-4-1-7-2-5-11(6-3-7)8(10)12/h7H,1-6,9H2,(H2,10,12)
InChIKeyJPXBDUADRDXVGV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.13
Rot. Bonds2

About 4-(2-aminoethyl)piperidine-1-carboxamide

4-(2-aminoethyl)piperidine-1-carboxamide (PubChem CID 21066091) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)piperidine-1-carboxamide
PubChem CID21066091
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(2-aminoethyl)piperidine-1-carboxamide
SMILESNCCC1CCN(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c9-4-1-7-2-5-11(6-3-7)8(10)12/h7H,1-6,9H2,(H2,10,12)
InChIKeyJPXBDUADRDXVGV-UHFFFAOYSA-N
XLogP0.13
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)piperidine-1-carboxamide (CID 21066091) is 4-(2-aminoethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)piperidine-1-carboxamide is NCCC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-aminoethyl)piperidine-1-carboxamide?
The InChIKey is JPXBDUADRDXVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-4-1-7-2-5-11(6-3-7)8(10)12/h7H,1-6,9H2,(H2,10,12).
What are the key properties of 4-(2-aminoethyl)piperidine-1-carboxamide?
4-(2-aminoethyl)piperidine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)piperidine-1-carboxamide is sourced from PubChem (CID 21066091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).