2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

C17H24N4O4 — CID 164633051

IUPAC2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccn(C2CC2)c1=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N4O4/c1-12(16(24)19-8-3-2-4-9-19)18-14(22)11-21-15(23)7-10-20(17(21)25)13-5-6-13/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyJAWKPBSODDTRSA-LBPRGKRZSA-N
MW348.40 g/mol
LogP-0.14
Rot. Bonds5

About 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (PubChem CID 164633051) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
PubChem CID164633051
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccn(C2CC2)c1=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N4O4/c1-12(16(24)19-8-3-2-4-9-19)18-14(22)11-21-15(23)7-10-20(17(21)25)13-5-6-13/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyJAWKPBSODDTRSA-LBPRGKRZSA-N
XLogP-0.14
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (CID 164633051) is 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is C[C@H](NC(=O)Cn1c(=O)ccn(C2CC2)c1=O)C(=O)N1CCCCC1.
What is the InChIKey of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The InChIKey is JAWKPBSODDTRSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(16(24)19-8-3-2-4-9-19)18-14(22)11-21-15(23)7-10-20(17(21)25)13-5-6-13/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide has a molecular weight of 348.40 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 164633051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).