3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one

C8H17N3O — CID 130686202

IUPAC3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C8H17N3O/c9-4-3-8(12)11-5-1-2-7(10)6-11/h7H,1-6,9-10H2/t7-/m1/s1
InChIKeyYRLSMDJSTRNSFC-SSDOTTSWSA-N
MW171.24 g/mol
LogP-0.72
Rot. Bonds2

About 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one

3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one (PubChem CID 130686202) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
PubChem CID130686202
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C8H17N3O/c9-4-3-8(12)11-5-1-2-7(10)6-11/h7H,1-6,9-10H2/t7-/m1/s1
InChIKeyYRLSMDJSTRNSFC-SSDOTTSWSA-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

3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494864
3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
CID 115277266
1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119379909

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one (CID 130686202) is 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one is NCCC(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one?
The InChIKey is YRLSMDJSTRNSFC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N3O/c9-4-3-8(12)11-5-1-2-7(10)6-11/h7H,1-6,9-10H2/t7-/m1/s1.
What are the key properties of 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one?
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-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 3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one is sourced from PubChem (CID 130686202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).