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

C18H28N4O3 — CID 53010379

IUPACN-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NC3CCCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O3/c1-20-15(11-16(23)21(2)18(20)25)22-10-6-7-13(12-22)17(24)19-14-8-4-3-5-9-14/h11,13-14H,3-10,12H2,1-2H3,(H,19,24)
InChIKeyJWPLLFLETWIIBB-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.75
Rot. Bonds3

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

N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53010379) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53010379
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NC3CCCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O3/c1-20-15(11-16(23)21(2)18(20)25)22-10-6-7-13(12-22)17(24)19-14-8-4-3-5-9-14/h11,13-14H,3-10,12H2,1-2H3,(H,19,24)
InChIKeyJWPLLFLETWIIBB-UHFFFAOYSA-N
XLogP0.75
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (CID 53010379) is N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NC3CCCCC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is JWPLLFLETWIIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20-15(11-16(23)21(2)18(20)25)22-10-6-7-13(12-22)17(24)19-14-8-4-3-5-9-14/h11,13-14H,3-10,12H2,1-2H3,(H,19,24).
What are the key properties of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53010379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).