2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H25N5O3S — CID 20893411

IUPAC2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1
InChIInChI=1S/C18H25N5O3S/c1-2-3-14-12-15(24)23-17(19-14)27-18(20-23)22-6-4-13(5-7-22)16(25)21-8-10-26-11-9-21/h12-13H,2-11H2,1H3
InChIKeyNHLWRQREXQVREX-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.18
Rot. Bonds4

About 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20893411) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20893411
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1
InChIInChI=1S/C18H25N5O3S/c1-2-3-14-12-15(24)23-17(19-14)27-18(20-23)22-6-4-13(5-7-22)16(25)21-8-10-26-11-9-21/h12-13H,2-11H2,1H3
InChIKeyNHLWRQREXQVREX-UHFFFAOYSA-N
XLogP1.18
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20893411) is 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NHLWRQREXQVREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-2-3-14-12-15(24)23-17(19-14)27-18(20-23)22-6-4-13(5-7-22)16(25)21-8-10-26-11-9-21/h12-13H,2-11H2,1H3.
What are the key properties of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 391.50 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20893411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).