N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

C19H24N4O3 — CID 46381321

IUPACN-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NCc3ccccc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-16(12-17(24)22(2)19(21)26)23-10-8-15(9-11-23)18(25)20-13-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,20,25)
InChIKeyJMTSNINMNOWREJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.62
Rot. Bonds4

About N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381321) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381321
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NCc3ccccc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-16(12-17(24)22(2)19(21)26)23-10-8-15(9-11-23)18(25)20-13-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,20,25)
InChIKeyJMTSNINMNOWREJ-UHFFFAOYSA-N
XLogP0.62
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381321) is N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is Cn1c(N2CCC(C(=O)NCc3ccccc3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is JMTSNINMNOWREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-16(12-17(24)22(2)19(21)26)23-10-8-15(9-11-23)18(25)20-13-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,20,25).
What are the key properties of N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).