N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C18H21ClN4O — CID 3224223

IUPACN-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3)C2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-9-13(2)21-18(20-12)23-8-4-5-14(11-23)17(24)22-16-7-3-6-15(19)10-16/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3,(H,22,24)
InChIKeyNFFDKGBHPMHXAA-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.60
Rot. Bonds3

About N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3224223) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3224223
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3)C2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-9-13(2)21-18(20-12)23-8-4-5-14(11-23)17(24)22-16-7-3-6-15(19)10-16/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3,(H,22,24)
InChIKeyNFFDKGBHPMHXAA-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3224223) is N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3)C2)n1.
What is the InChIKey of N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is NFFDKGBHPMHXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-9-13(2)21-18(20-12)23-8-4-5-14(11-23)17(24)22-16-7-3-6-15(19)10-16/h3,6-7,9-10,14H,4-5,8,11H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3224223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).