1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one

C10H19N3O — CID 22573227

IUPAC1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-12-4-1-7-13(10)8-9-2-5-11-6-3-9/h9,11H,1-8H2,(H,12,14)
InChIKeyJOVYDULOKRAVQE-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.40
Rot. Bonds2

About 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one

1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one (PubChem CID 22573227) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one
PubChem CID22573227
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1CC1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-12-4-1-7-13(10)8-9-2-5-11-6-3-9/h9,11H,1-8H2,(H,12,14)
InChIKeyJOVYDULOKRAVQE-UHFFFAOYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Piperidinylcarbonyl)piperazine
CID 1095015
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2,4,9-Triazaspiro[5.5]undecan-3-one
CID 22386654
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
N-(2-cyclohexylethyl)piperidine-1-carboxamide
CID 6458387
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
1,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115169305
2-Ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 167731155
4-Methyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 177800747
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one (CID 22573227) is 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one is O=C1NCCCN1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is JOVYDULOKRAVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-10-12-4-1-7-13(10)8-9-2-5-11-6-3-9/h9,11H,1-8H2,(H,12,14).
What are the key properties of 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 22573227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).