N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

C16H24N4O3 — CID 53010375

IUPACN-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NC3CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H24N4O3/c1-3-20-13(9-14(21)18(2)16(20)23)19-8-4-5-11(10-19)15(22)17-12-6-7-12/h9,11-12H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyWYAQMFFJXQZOPD-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.06
Rot. Bonds4

About N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53010375) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53010375
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NC3CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H24N4O3/c1-3-20-13(9-14(21)18(2)16(20)23)19-8-4-5-11(10-19)15(22)17-12-6-7-12/h9,11-12H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyWYAQMFFJXQZOPD-UHFFFAOYSA-N
XLogP0.06
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (CID 53010375) is N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is CCn1c(N2CCCC(C(=O)NC3CC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is WYAQMFFJXQZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-20-13(9-14(21)18(2)16(20)23)19-8-4-5-11(10-19)15(22)17-12-6-7-12/h9,11-12H,3-8,10H2,1-2H3,(H,17,22).
What are the key properties of N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53010375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).