(3R)-3-amino-1-piperidin-1-ylbutan-1-one

C9H18N2O — CID 59102647

IUPAC(3R)-3-amino-1-piperidin-1-ylbutan-1-one
SMILESC[C@@H](N)CC(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O/c1-8(10)7-9(12)11-5-3-2-4-6-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyNQPYBQDWGOUWDU-MRVPVSSYSA-N
MW170.26 g/mol
LogP0.74
Rot. Bonds2

About (3R)-3-amino-1-piperidin-1-ylbutan-1-one

(3R)-3-amino-1-piperidin-1-ylbutan-1-one (PubChem CID 59102647) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-3-amino-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-piperidin-1-ylbutan-1-one
PubChem CID59102647
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-3-amino-1-piperidin-1-ylbutan-1-one
SMILESC[C@@H](N)CC(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O/c1-8(10)7-9(12)11-5-3-2-4-6-11/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyNQPYBQDWGOUWDU-MRVPVSSYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119844153
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119859721
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208
(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 42627584
2-(3-aminobutylsulfanyl)-1-(azocan-1-yl)ethanone
CID 66232817

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (3R)-3-amino-1-piperidin-1-ylbutan-1-one (CID 59102647) is (3R)-3-amino-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (3R)-3-amino-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (3R)-3-amino-1-piperidin-1-ylbutan-1-one is C[C@@H](N)CC(=O)N1CCCCC1.
What is the InChIKey of (3R)-3-amino-1-piperidin-1-ylbutan-1-one?
The InChIKey is NQPYBQDWGOUWDU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(10)7-9(12)11-5-3-2-4-6-11/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-amino-1-piperidin-1-ylbutan-1-one?
(3R)-3-amino-1-piperidin-1-ylbutan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 59102647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).