4-amino-1-ethylpiperidine-4-carboxamide

C8H17N3O — CID 20622648

IUPAC4-amino-1-ethylpiperidine-4-carboxamide
SMILESCCN1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c1-2-11-5-3-8(10,4-6-11)7(9)12/h2-6,10H2,1H3,(H2,9,12)
InChIKeyXQBIRPQTTNEVBU-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.72
Rot. Bonds2

About 4-amino-1-ethylpiperidine-4-carboxamide

4-amino-1-ethylpiperidine-4-carboxamide (PubChem CID 20622648) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-amino-1-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethylpiperidine-4-carboxamide
PubChem CID20622648
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-amino-1-ethylpiperidine-4-carboxamide
SMILESCCN1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C8H17N3O/c1-2-11-5-3-8(10,4-6-11)7(9)12/h2-6,10H2,1H3,(H2,9,12)
InChIKeyXQBIRPQTTNEVBU-UHFFFAOYSA-N
XLogP-0.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylpiperidine-4-carboxamide?
The IUPAC name of 4-amino-1-ethylpiperidine-4-carboxamide (CID 20622648) is 4-amino-1-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-ethylpiperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-ethylpiperidine-4-carboxamide is CCN1CCC(N)(C(N)=O)CC1.
What is the InChIKey of 4-amino-1-ethylpiperidine-4-carboxamide?
The InChIKey is XQBIRPQTTNEVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-11-5-3-8(10,4-6-11)7(9)12/h2-6,10H2,1H3,(H2,9,12).
What are the key properties of 4-amino-1-ethylpiperidine-4-carboxamide?
4-amino-1-ethylpiperidine-4-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 20622648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).