N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide

C19H31N5O4 — CID 55841714

IUPACN-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C19H31N5O4/c1-12(2)10-24-17(20)16(18(27)22(4)19(24)28)15(26)11-23-7-5-14(6-8-23)9-21-13(3)25/h12,14H,5-11,20H2,1-4H3,(H,21,25)
InChIKeyRBFWBUYTGGVUCZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP-0.18
Rot. Bonds7

About N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide (PubChem CID 55841714) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide
PubChem CID55841714
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC NameN-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C19H31N5O4/c1-12(2)10-24-17(20)16(18(27)22(4)19(24)28)15(26)11-23-7-5-14(6-8-23)9-21-13(3)25/h12,14H,5-11,20H2,1-4H3,(H,21,25)
InChIKeyRBFWBUYTGGVUCZ-UHFFFAOYSA-N
XLogP-0.18
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide (CID 55841714) is N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is RBFWBUYTGGVUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-12(2)10-24-17(20)16(18(27)22(4)19(24)28)15(26)11-23-7-5-14(6-8-23)9-21-13(3)25/h12,14H,5-11,20H2,1-4H3,(H,21,25).
What are the key properties of N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 55841714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).