1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

C14H22N4O3 — CID 4114157

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-17(2)13(19)10-5-7-18(8-6-10)14-15-11(20-3)9-12(16-14)21-4/h9-10H,5-8H2,1-4H3
InChIKeySSHODQWHHWPRBS-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.80
Rot. Bonds4

About 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 4114157) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID4114157
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-17(2)13(19)10-5-7-18(8-6-10)14-15-11(20-3)9-12(16-14)21-4/h9-10H,5-8H2,1-4H3
InChIKeySSHODQWHHWPRBS-UHFFFAOYSA-N
XLogP0.80
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 4114157) is 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is COc1cc(OC)nc(N2CCC(C(=O)N(C)C)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is SSHODQWHHWPRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(2)13(19)10-5-7-18(8-6-10)14-15-11(20-3)9-12(16-14)21-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 4114157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).