1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide

C13H20N4O — CID 83122876

IUPAC1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
SMILESC[C@@H](N)c1ccc(N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C13H20N4O/c1-9(14)12-3-2-11(8-16-12)17-6-4-10(5-7-17)13(15)18/h2-3,8-10H,4-7,14H2,1H3,(H2,15,18)/t9-/m1/s1
InChIKeyOUQUUKMTUGBGRU-SECBINFHSA-N
MW248.33 g/mol
LogP0.80
Rot. Bonds3

About 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide

1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 83122876) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
PubChem CID83122876
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
SMILESC[C@@H](N)c1ccc(N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C13H20N4O/c1-9(14)12-3-2-11(8-16-12)17-6-4-10(5-7-17)13(15)18/h2-3,8-10H,4-7,14H2,1H3,(H2,15,18)/t9-/m1/s1
InChIKeyOUQUUKMTUGBGRU-SECBINFHSA-N
XLogP0.80
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide (CID 83122876) is 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide is C[C@@H](N)c1ccc(N2CCC(C(N)=O)CC2)cn1.
What is the InChIKey of 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is OUQUUKMTUGBGRU-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(14)12-3-2-11(8-16-12)17-6-4-10(5-7-17)13(15)18/h2-3,8-10H,4-7,14H2,1H3,(H2,15,18)/t9-/m1/s1.
What are the key properties of 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide?
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 83122876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).