1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one

C18H28N4O — CID 59948063

IUPAC1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one
SMILESCC(C)N1CCC(N2CCCN(Cc3ccncc3)C2=O)CC1
InChIInChI=1S/C18H28N4O/c1-15(2)20-12-6-17(7-13-20)22-11-3-10-21(18(22)23)14-16-4-8-19-9-5-16/h4-5,8-9,15,17H,3,6-7,10-14H2,1-2H3
InChIKeyDQIKZMDMDPVFHM-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.58
Rot. Bonds4

About 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one

1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one (PubChem CID 59948063) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one
PubChem CID59948063
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one
SMILESCC(C)N1CCC(N2CCCN(Cc3ccncc3)C2=O)CC1
InChIInChI=1S/C18H28N4O/c1-15(2)20-12-6-17(7-13-20)22-11-3-10-21(18(22)23)14-16-4-8-19-9-5-16/h4-5,8-9,15,17H,3,6-7,10-14H2,1-2H3
InChIKeyDQIKZMDMDPVFHM-UHFFFAOYSA-N
XLogP2.58
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one (CID 59948063) is 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one is CC(C)N1CCC(N2CCCN(Cc3ccncc3)C2=O)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is DQIKZMDMDPVFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-15(2)20-12-6-17(7-13-20)22-11-3-10-21(18(22)23)14-16-4-8-19-9-5-16/h4-5,8-9,15,17H,3,6-7,10-14H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one?
1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 59948063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).