1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one

C11H21N3O — CID 18314274

IUPAC1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one
SMILESCCN1CCCN(C2CCNCC2)C1=O
InChIInChI=1S/C11H21N3O/c1-2-13-8-3-9-14(11(13)15)10-4-6-12-7-5-10/h10,12H,2-9H2,1H3
InChIKeyUKVNVUSJWJGCNU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.89
Rot. Bonds2

About 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one

1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one (PubChem CID 18314274) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one
PubChem CID18314274
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one
SMILESCCN1CCCN(C2CCNCC2)C1=O
InChIInChI=1S/C11H21N3O/c1-2-13-8-3-9-14(11(13)15)10-4-6-12-7-5-10/h10,12H,2-9H2,1H3
InChIKeyUKVNVUSJWJGCNU-UHFFFAOYSA-N
XLogP0.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
3-(1-Acetylpiperidin-4-YL)-1-cyclohexylurea
CID 25070135
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
4-amino-N-cyclohexylpiperidine-1-carboxamide
CID 6489233
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
3-Cyclohexyl-1-(piperidin-4-yl)urea
CID 1445163
1-(1-Piperidinylcarbonyl)piperazine
CID 1095015
N-cyclohexyl-N'-(1-isopropyl-4-piperidinyl)urea
CID 6466102
N-Isopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234223
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
3-Methyl-1-(piperidin-4-yl)urea hydrochloride
CID 53255670
4-Amino-N-methyl-1-piperidinecarboxamide
CID 53256183

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one?
The IUPAC name of 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one (CID 18314274) is 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one.
What is the SMILES notation for 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one?
The canonical SMILES for 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one is CCN1CCCN(C2CCNCC2)C1=O.
What is the InChIKey of 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one?
The InChIKey is UKVNVUSJWJGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-13-8-3-9-14(11(13)15)10-4-6-12-7-5-10/h10,12H,2-9H2,1H3.
What are the key properties of 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one?
1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-piperidin-4-yl-1,3-diazinan-2-one is sourced from PubChem (CID 18314274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).