N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C19H23ClN4O — CID 3223317

IUPACN-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H23ClN4O/c1-13-11-14(2)23-19(22-13)24-9-7-16(8-10-24)18(25)21-12-15-3-5-17(20)6-4-15/h3-6,11,16H,7-10,12H2,1-2H3,(H,21,25)
InChIKeyRDSSJQQULVOOOZ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.28
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223317) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223317
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H23ClN4O/c1-13-11-14(2)23-19(22-13)24-9-7-16(8-10-24)18(25)21-12-15-3-5-17(20)6-4-15/h3-6,11,16H,7-10,12H2,1-2H3,(H,21,25)
InChIKeyRDSSJQQULVOOOZ-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223317) is N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is RDSSJQQULVOOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-13-11-14(2)23-19(22-13)24-9-7-16(8-10-24)18(25)21-12-15-3-5-17(20)6-4-15/h3-6,11,16H,7-10,12H2,1-2H3,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).