N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

C19H23ClN4O3 — CID 3230390

IUPACN-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)Nc3cc(Cl)ccc3OC)C2)n1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-17(27-3)23-19(21-12)24-8-4-5-13(11-24)18(25)22-15-10-14(20)6-7-16(15)26-2/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,22,25)
InChIKeyFOGPAQFMJPPYQP-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.31
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3230390) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3230390
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)Nc3cc(Cl)ccc3OC)C2)n1
InChIInChI=1S/C19H23ClN4O3/c1-12-9-17(27-3)23-19(21-12)24-8-4-5-13(11-24)18(25)22-15-10-14(20)6-7-16(15)26-2/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,22,25)
InChIKeyFOGPAQFMJPPYQP-UHFFFAOYSA-N
XLogP3.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 3224210
2-{3-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-pyrimidine-4-carboxylic acid amide
CID 9909211
1-(4-Ethoxy-6-methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (2-ethoxy-phenyl)-amide
CID 644972
N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 647871
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (2,5-dimethoxy-phenyl)-amide
CID 648223
1-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (5-chloro-2-methoxy-phenyl)-amide
CID 648764
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2,3-dichloro-phenyl)-amide
CID 651448
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2,5-diethoxy-phenyl)-amide
CID 655613
2-(4,6-dimethylpyrimidin-2-ylthio)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 815338
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-methoxy-phenyl)-amide
CID 3224208
N-(5-Chloro-2-methoxyphenyl)-1-{3-methyl-[1,2]oxazolo[5,4-D]pyrimidin-4-YL}piperidine-3-carboxamide
CID 16024432
N-(5-chloro-2-methoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 9586762

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3230390) is N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1cc(C)nc(N2CCCC(C(=O)Nc3cc(Cl)ccc3OC)C2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is FOGPAQFMJPPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-12-9-17(27-3)23-19(21-12)24-8-4-5-13(11-24)18(25)22-15-10-14(20)6-7-16(15)26-2/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3230390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).