3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide

C13H17ClN4O2 — CID 122259581

IUPAC3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C13H17ClN4O2/c1-2-5-15-13(19)18-6-3-4-11(9-18)20-12-16-7-10(14)8-17-12/h2,7-8,11H,1,3-6,9H2,(H,15,19)
InChIKeyJPSVPTNVOVRNNY-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.87
Rot. Bonds4

About 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide

3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 122259581) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide
PubChem CID122259581
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C13H17ClN4O2/c1-2-5-15-13(19)18-6-3-4-11(9-18)20-12-16-7-10(14)8-17-12/h2,7-8,11H,1,3-6,9H2,(H,15,19)
InChIKeyJPSVPTNVOVRNNY-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
2,2,2-trifluoroethyl 3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 122267285
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 122259236
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
3-(5-bromopyrimidin-2-yl)oxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122259108
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122267298
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 119100812

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide (CID 122259581) is 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is JPSVPTNVOVRNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-2-5-15-13(19)18-6-3-4-11(9-18)20-12-16-7-10(14)8-17-12/h2,7-8,11H,1,3-6,9H2,(H,15,19).
What are the key properties of 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide?
3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 122259581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).