3,6-diaminopiperidin-2-one

C5H11N3O — CID 67127715

IUPAC3,6-diaminopiperidin-2-one
SMILESNC1CCC(N)C(=O)N1
InChIInChI=1S/C5H11N3O/c6-3-1-2-4(7)8-5(3)9/h3-4H,1-2,6-7H2,(H,8,9)
InChIKeyBDKQXZUMDKTHDH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.49
Rot. Bonds

About 3,6-diaminopiperidin-2-one

3,6-diaminopiperidin-2-one (PubChem CID 67127715) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,6-diaminopiperidin-2-one.

Molecular Properties

Compound Name3,6-diaminopiperidin-2-one
PubChem CID67127715
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name3,6-diaminopiperidin-2-one
SMILESNC1CCC(N)C(=O)N1
InChIInChI=1S/C5H11N3O/c6-3-1-2-4(7)8-5(3)9/h3-4H,1-2,6-7H2,(H,8,9)
InChIKeyBDKQXZUMDKTHDH-UHFFFAOYSA-N
XLogP-1.49
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2-piperidone
CID 5200225
(3S)-3-aminopiperidin-2-one
CID 7200369
2,5-Diamino-1-piperidin-1-yl-pentan-1-one
CID 10081481
(R)-3-Aminopiperidine-2-one
CID 7200371
5-Aminopiperidin-2-one
CID 18451415
3-Propylpiperazin-2-one
CID 62352457
6-(Aminomethyl)piperidin-2-one
CID 14342629
N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 14289831
(5S)-5-Amino-2-piperidinone
CID 10942387
3-Amino-2-Piperidinone Hydrochloride
CID 19795138
(S)-5-aminopiperidin-2-one hydrochloride
CID 42614518
(3S)-3-Aminopiperidin-2-one--hydrogen chloride (1/1)
CID 45789910

Frequently Asked Questions

What is the IUPAC name of 3,6-diaminopiperidin-2-one?
The IUPAC name of 3,6-diaminopiperidin-2-one (CID 67127715) is 3,6-diaminopiperidin-2-one.
What is the SMILES notation for 3,6-diaminopiperidin-2-one?
The canonical SMILES for 3,6-diaminopiperidin-2-one is NC1CCC(N)C(=O)N1.
What is the InChIKey of 3,6-diaminopiperidin-2-one?
The InChIKey is BDKQXZUMDKTHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-3-1-2-4(7)8-5(3)9/h3-4H,1-2,6-7H2,(H,8,9).
What are the key properties of 3,6-diaminopiperidin-2-one?
3,6-diaminopiperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diaminopiperidin-2-one is sourced from PubChem (CID 67127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).