3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide

C18H21ClN4O4 — CID 122259565

IUPAC3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)c1OC
InChIInChI=1S/C18H21ClN4O4/c1-25-15-7-3-6-14(16(15)26-2)22-18(24)23-8-4-5-13(11-23)27-17-20-9-12(19)10-21-17/h3,6-7,9-10,13H,4-5,8,11H2,1-2H3,(H,22,24)
InChIKeyUHSMFTMKAXYYDA-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.22
Rot. Bonds5

About 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide

3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 122259565) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID122259565
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC Name3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)c1OC
InChIInChI=1S/C18H21ClN4O4/c1-25-15-7-3-6-14(16(15)26-2)22-18(24)23-8-4-5-13(11-23)27-17-20-9-12(19)10-21-17/h3,6-7,9-10,13H,4-5,8,11H2,1-2H3,(H,22,24)
InChIKeyUHSMFTMKAXYYDA-UHFFFAOYSA-N
XLogP3.22
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267734
3-(5-fluoropyrimidin-2-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 122258608
N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258586
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258102
3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 122259079
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799516
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
N-(2,3-dimethoxyphenyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249694

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide (CID 122259565) is 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC(Oc3ncc(Cl)cn3)C2)c1OC.
What is the InChIKey of 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is UHSMFTMKAXYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c1-25-15-7-3-6-14(16(15)26-2)22-18(24)23-8-4-5-13(11-23)27-17-20-9-12(19)10-21-17/h3,6-7,9-10,13H,4-5,8,11H2,1-2H3,(H,22,24).
What are the key properties of 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide?
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 122259565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).