1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide

C16H23N5O3 — CID 75538833

IUPAC1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(C(=O)N2CCOCC2)cc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-11-18-13(16(23)21-6-8-24-9-7-21)10-14(19-11)20-4-2-12(3-5-20)15(17)22/h10,12H,2-9H2,1H3,(H2,17,22)
InChIKeyQMFFOACMFBAJPO-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.04
Rot. Bonds3

About 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide

1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 75538833) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID75538833
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(C(=O)N2CCOCC2)cc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-11-18-13(16(23)21-6-8-24-9-7-21)10-14(19-11)20-4-2-12(3-5-20)15(17)22/h10,12H,2-9H2,1H3,(H2,17,22)
InChIKeyQMFFOACMFBAJPO-UHFFFAOYSA-N
XLogP-0.04
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 75538833) is 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nc(C(=O)N2CCOCC2)cc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is QMFFOACMFBAJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-18-13(16(23)21-6-8-24-9-7-21)10-14(19-11)20-4-2-12(3-5-20)15(17)22/h10,12H,2-9H2,1H3,(H2,17,22).
What are the key properties of 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 75538833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).