1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide

C21H33N5O4 — CID 169167870

IUPAC1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2C(N)=O)c(N)n(CC2CCCCC2)c1=O
InChIInChI=1S/C21H33N5O4/c1-2-25-20(29)17(16(27)13-24-11-7-6-10-15(24)19(23)28)18(22)26(21(25)30)12-14-8-4-3-5-9-14/h14-15H,2-13,22H2,1H3,(H2,23,28)
InChIKeyGLYYZERHNFRZEN-UHFFFAOYSA-N
MW419.53 g/mol
LogP0.71
Rot. Bonds7

About 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide

1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 169167870) has the molecular formula C21H33N5O4 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID169167870
Molecular FormulaC21H33N5O4
Molecular Weight419.53 g/mol
Exact Mass419.25
IUPAC Name1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2C(N)=O)c(N)n(CC2CCCCC2)c1=O
InChIInChI=1S/C21H33N5O4/c1-2-25-20(29)17(16(27)13-24-11-7-6-10-15(24)19(23)28)18(22)26(21(25)30)12-14-8-4-3-5-9-14/h14-15H,2-13,22H2,1H3,(H2,23,28)
InChIKeyGLYYZERHNFRZEN-UHFFFAOYSA-N
XLogP0.71
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (CID 169167870) is 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is CCn1c(=O)c(C(=O)CN2CCCCC2C(N)=O)c(N)n(CC2CCCCC2)c1=O.
What is the InChIKey of 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is GLYYZERHNFRZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4/c1-2-25-20(29)17(16(27)13-24-11-7-6-10-15(24)19(23)28)18(22)26(21(25)30)12-14-8-4-3-5-9-14/h14-15H,2-13,22H2,1H3,(H2,23,28).
What are the key properties of 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 169167870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).