2,3-diamino-1-piperidin-1-ylpropan-1-one

C8H17N3O — CID 11819467

IUPAC2,3-diamino-1-piperidin-1-ylpropan-1-one
SMILESNCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C8H17N3O/c9-6-7(10)8(12)11-4-2-1-3-5-11/h7H,1-6,9-10H2
InChIKeyJVCNLFFNIXVBAD-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.72
Rot. Bonds2

About 2,3-diamino-1-piperidin-1-ylpropan-1-one

2,3-diamino-1-piperidin-1-ylpropan-1-one (PubChem CID 11819467) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,3-diamino-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,3-diamino-1-piperidin-1-ylpropan-1-one
PubChem CID11819467
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2,3-diamino-1-piperidin-1-ylpropan-1-one
SMILESNCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C8H17N3O/c9-6-7(10)8(12)11-4-2-1-3-5-11/h7H,1-6,9-10H2
InChIKeyJVCNLFFNIXVBAD-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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Related Compounds

(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
CID 9942336
2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
2,5-Diamino-1-piperidin-1-yl-pentan-1-one
CID 10081481
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
2,4-Diamino-1-piperidin-1-yl-butan-1-one
CID 24906298
2-(S)-Amino-4-cyclohexylamino-1-piperidin-1-yl-butan-1-one
CID 11437087
(S)-2,3-Diamino-1-piperidin-1-yl-propan-1-one
CID 10012350
(S)-2,6-diamino-1-(piperidin-1-yl)hexan-1-one
CID 10443207
2,6-Diamino-1-piperidin-1-yl-hexan-1-one
CID 18398588
2-Amino-1-(piperidin-1-yl)propan-1-one
CID 3152952
N-(1-acetylpiperidin-3-yl)propanamide
CID 44454221
2-(4-aminopiperidin-1-yl)-N-methylacetamide
CID 18071178

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2,3-diamino-1-piperidin-1-ylpropan-1-one (CID 11819467) is 2,3-diamino-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2,3-diamino-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2,3-diamino-1-piperidin-1-ylpropan-1-one is NCC(N)C(=O)N1CCCCC1.
What is the InChIKey of 2,3-diamino-1-piperidin-1-ylpropan-1-one?
The InChIKey is JVCNLFFNIXVBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-6-7(10)8(12)11-4-2-1-3-5-11/h7H,1-6,9-10H2.
What are the key properties of 2,3-diamino-1-piperidin-1-ylpropan-1-one?
2,3-diamino-1-piperidin-1-ylpropan-1-one 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 2,3-diamino-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 11819467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).