1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride

C9H18ClN3O — CID 162422983

IUPAC1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
SMILESCl.O=C1NCCCN1[C@@H]1CCCNC1
InChIInChI=1S/C9H17N3O.ClH/c13-9-11-5-2-6-12(9)8-3-1-4-10-7-8;/h8,10H,1-7H2,(H,11,13);1H/t8-;/m1./s1
InChIKeyLTJJYZJPQYFAIA-DDWIOCJRSA-N
MW219.72 g/mol
LogP0.58
Rot. Bonds1

About 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride

1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride (PubChem CID 162422983) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
PubChem CID162422983
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Name1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
SMILESCl.O=C1NCCCN1[C@@H]1CCCNC1
InChIInChI=1S/C9H17N3O.ClH/c13-9-11-5-2-6-12(9)8-3-1-4-10-7-8;/h8,10H,1-7H2,(H,11,13);1H/t8-;/m1./s1
InChIKeyLTJJYZJPQYFAIA-DDWIOCJRSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 118115291
(7aR)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
CID 119094860
(5S,13S,21S)-1,3,9,11,17,19-hexazatetracyclo[19.3.0.05,9.013,17]tetracosane-2,10,18-trione
CID 71124222
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
CID 175684354
3-piperidin-3-yl-1,3-oxazolidin-2-one;hydrochloride
CID 167727849
1-(4-aminocyclohexyl)-1,3-diazinan-2-one
CID 62587357
1-[(3R)-piperidin-3-yl]-3-propan-2-yl-1,3-diazinan-2-one
CID 125041151
1-(1-cyclopropylpyrrolidin-3-yl)-1,3-diazinan-2-one
CID 115371023
3,3-dimethyl-1-[(3R)-piperidin-3-yl]azetidin-2-one
CID 129450905
1-(2-methylpiperidin-4-yl)-1,3-diazinan-2-one
CID 106996405

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
The IUPAC name of 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride (CID 162422983) is 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride is Cl.O=C1NCCCN1[C@@H]1CCCNC1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
The InChIKey is LTJJYZJPQYFAIA-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c13-9-11-5-2-6-12(9)8-3-1-4-10-7-8;/h8,10H,1-7H2,(H,11,13);1H/t8-;/m1./s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride?
1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride is sourced from PubChem (CID 162422983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).