4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide

C14H16N4O2S — CID 90558841

IUPAC4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H16N4O2S/c19-14(17-12-3-1-10-21-12)18-8-4-11(5-9-18)20-13-15-6-2-7-16-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,19)
InChIKeyVRNLHTSAZIEXII-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.61
Rot. Bonds3

About 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide

4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 90558841) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID90558841
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H16N4O2S/c19-14(17-12-3-1-10-21-12)18-8-4-11(5-9-18)20-13-15-6-2-7-16-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,19)
InChIKeyVRNLHTSAZIEXII-UHFFFAOYSA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100754062
N-thiophen-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798781
(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100633412
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248094
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
(3S)-3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100740167
3-quinolin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 91815876
N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251065
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807
4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide
CID 30864308

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide (CID 90558841) is 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide is O=C(Nc1cccs1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is VRNLHTSAZIEXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-14(17-12-3-1-10-21-12)18-8-4-11(5-9-18)20-13-15-6-2-7-16-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,19).
What are the key properties of 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide?
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 90558841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).