N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

C19H23ClN4O3 — CID 53107436

IUPACN-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H23ClN4O3/c1-22-16(10-17(25)23(2)19(22)27)24-9-3-4-14(12-24)18(26)21-11-13-5-7-15(20)8-6-13/h5-8,10,14H,3-4,9,11-12H2,1-2H3,(H,21,26)
InChIKeyJJQCJPYBPBEIED-UHFFFAOYSA-N
MW390.87 g/mol
LogP1.27
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53107436) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53107436
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H23ClN4O3/c1-22-16(10-17(25)23(2)19(22)27)24-9-3-4-14(12-24)18(26)21-11-13-5-7-15(20)8-6-13/h5-8,10,14H,3-4,9,11-12H2,1-2H3,(H,21,26)
InChIKeyJJQCJPYBPBEIED-UHFFFAOYSA-N
XLogP1.27
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (CID 53107436) is N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is JJQCJPYBPBEIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-22-16(10-17(25)23(2)19(22)27)24-9-3-4-14(12-24)18(26)21-11-13-5-7-15(20)8-6-13/h5-8,10,14H,3-4,9,11-12H2,1-2H3,(H,21,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53107436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).