1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one

C17H29N3O3 — CID 129492024

IUPAC1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCC[C@@H]1OCCC[C@H]1C(=O)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C17H29N3O3/c1-2-15-14(5-3-12-23-15)16(21)19-10-6-13(7-11-19)20-9-4-8-18-17(20)22/h13-15H,2-12H2,1H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyHLRZPWXAXOPOBM-CABCVRRESA-N
MW323.44 g/mol
LogP1.60
Rot. Bonds3

About 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one

1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 129492024) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID129492024
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESCC[C@@H]1OCCC[C@H]1C(=O)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C17H29N3O3/c1-2-15-14(5-3-12-23-15)16(21)19-10-6-13(7-11-19)20-9-4-8-18-17(20)22/h13-15H,2-12H2,1H3,(H,18,22)/t14-,15+/m1/s1
InChIKeyHLRZPWXAXOPOBM-CABCVRRESA-N
XLogP1.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one with MolForge

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Related Compounds

1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 129491970
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
4-[(2R,3R)-2-ethyloxane-3-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 129492439
4-(2-ethyloxane-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 128995955
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628072
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
1-(4-propylcyclohexyl)-1,3-diazinan-2-one
CID 115371043

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one (CID 129492024) is 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one is CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is HLRZPWXAXOPOBM-CABCVRRESA-N. The full InChI is InChI=1S/C17H29N3O3/c1-2-15-14(5-3-12-23-15)16(21)19-10-6-13(7-11-19)20-9-4-8-18-17(20)22/h13-15H,2-12H2,1H3,(H,18,22)/t14-,15+/m1/s1.
What are the key properties of 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 323.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 129492024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).