N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

C19H23ClN4O3 — CID 122258102

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-13(2)22-18(21-12)27-15-5-4-8-24(11-15)19(25)23-16-10-14(20)6-7-17(16)26-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)
InChIKeyFQGATGAAPDPLIO-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.83
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 122258102) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID122258102
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-13(2)22-18(21-12)27-15-5-4-8-24(11-15)19(25)23-16-10-14(20)6-7-17(16)26-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25)
InChIKeyFQGATGAAPDPLIO-UHFFFAOYSA-N
XLogP3.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637156
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
(5-chloro-2-methoxyphenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260273
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 122258032
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
1-(4-chlorophenyl)-4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]butane-1,4-dione
CID 122257704
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 122258102) is N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCCC(Oc2nc(C)cc(C)n2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is FQGATGAAPDPLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-9-13(2)22-18(21-12)27-15-5-4-8-24(11-15)19(25)23-16-10-14(20)6-7-17(16)26-3/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122258102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).