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

C19H23ClN4O2 — CID 647871

IUPACN-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3C)C2)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-10-17(26-3)23-19(21-12)24-9-5-6-14(11-24)18(25)22-16-8-4-7-15(20)13(16)2/h4,7-8,10,14H,5-6,9,11H2,1-3H3,(H,22,25)
InChIKeyYAJMLFPBCSAPPU-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.61
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 647871) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID647871
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3C)C2)n1
InChIInChI=1S/C19H23ClN4O2/c1-12-10-17(26-3)23-19(21-12)24-9-5-6-14(11-24)18(25)22-16-8-4-7-15(20)13(16)2/h4,7-8,10,14H,5-6,9,11H2,1-3H3,(H,22,25)
InChIKeyYAJMLFPBCSAPPU-UHFFFAOYSA-N
XLogP3.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 647871) is N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3C)C2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is YAJMLFPBCSAPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-10-17(26-3)23-19(21-12)24-9-5-6-14(11-24)18(25)22-16-8-4-7-15(20)13(16)2/h4,7-8,10,14H,5-6,9,11H2,1-3H3,(H,22,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 647871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).