2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C19H26N4O3 — CID 56902648

IUPAC2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H26N4O3/c24-17-15(12-20-16(21-17)13-4-5-13)19(26)23-10-6-14(7-11-23)18(25)22-8-2-1-3-9-22/h12-14H,1-11H2,(H,20,21,24)
InChIKeyWFQAIDJBJQQKLB-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.51
Rot. Bonds3

About 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56902648) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56902648
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H26N4O3/c24-17-15(12-20-16(21-17)13-4-5-13)19(26)23-10-6-14(7-11-23)18(25)22-8-2-1-3-9-22/h12-14H,1-11H2,(H,20,21,24)
InChIKeyWFQAIDJBJQQKLB-UHFFFAOYSA-N
XLogP1.51
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 56902648) is 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is WFQAIDJBJQQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17-15(12-20-16(21-17)13-4-5-13)19(26)23-10-6-14(7-11-23)18(25)22-8-2-1-3-9-22/h12-14H,1-11H2,(H,20,21,24).
What are the key properties of 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 358.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56902648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).