1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide

C13H20N4O2 — CID 31968556

IUPAC1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)12(18)10-5-8-17(9-6-10)13-14-7-4-11(15-13)19-3/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyQECCCWJXJJYMCM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.79
Rot. Bonds3

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

1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 31968556) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID31968556
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-16(2)12(18)10-5-8-17(9-6-10)13-14-7-4-11(15-13)19-3/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyQECCCWJXJJYMCM-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 31968556) is 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)N(C)C)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is QECCCWJXJJYMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16(2)12(18)10-5-8-17(9-6-10)13-14-7-4-11(15-13)19-3/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 31968556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).