1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide

C12H17FN4O — CID 126857019

IUPAC1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C12H17FN4O/c1-16(2)11(18)10-5-3-4-6-17(10)12-14-7-9(13)8-15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyCVBGHDSZSZPSNW-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.06
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide

1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide (PubChem CID 126857019) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide
PubChem CID126857019
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C12H17FN4O/c1-16(2)11(18)10-5-3-4-6-17(10)12-14-7-9(13)8-15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyCVBGHDSZSZPSNW-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide (CID 126857019) is 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide is CN(C)C(=O)C1CCCCN1c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide?
The InChIKey is CVBGHDSZSZPSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-16(2)11(18)10-5-3-4-6-17(10)12-14-7-9(13)8-15-12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide?
1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-N,N-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 126857019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).