N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

C18H20Cl2N4O2 — CID 651448

IUPACN-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3Cl)C2)n1
InChIInChI=1S/C18H20Cl2N4O2/c1-11-9-15(26-2)23-18(21-11)24-8-4-5-12(10-24)17(25)22-14-7-3-6-13(19)16(14)20/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,22,25)
InChIKeyKVIRGTQNDXAXKJ-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.96
Rot. Bonds4

About N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 651448) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID651448
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC NameN-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3Cl)C2)n1
InChIInChI=1S/C18H20Cl2N4O2/c1-11-9-15(26-2)23-18(21-11)24-8-4-5-12(10-24)17(25)22-14-7-3-6-13(19)16(14)20/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,22,25)
InChIKeyKVIRGTQNDXAXKJ-UHFFFAOYSA-N
XLogP3.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 651448) is N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is COc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3Cl)C2)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is KVIRGTQNDXAXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-11-9-15(26-2)23-18(21-11)24-8-4-5-12(10-24)17(25)22-14-7-3-6-13(19)16(14)20/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 651448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).