2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

C14H18N6O3 — CID 97138600

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H18N6O3/c21-11(9-20-12(22)7-17-14(20)23)18-10-3-1-6-19(8-10)13-15-4-2-5-16-13/h2,4-5,10H,1,3,6-9H2,(H,17,23)(H,18,21)/t10-/m1/s1
InChIKeyNPXVIYHDKASSII-SNVBAGLBSA-N
MW318.34 g/mol
LogP-0.89
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (PubChem CID 97138600) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
PubChem CID97138600
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H18N6O3/c21-11(9-20-12(22)7-17-14(20)23)18-10-3-1-6-19(8-10)13-15-4-2-5-16-13/h2,4-5,10H,1,3,6-9H2,(H,17,23)(H,18,21)/t10-/m1/s1
InChIKeyNPXVIYHDKASSII-SNVBAGLBSA-N
XLogP-0.89
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-2-ylpiperidin-3-yl)acetamide
CID 127247784
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
CID 95896405
2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 91835587
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 131928797
2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 99646202
2-(1-adamantyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100426

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (CID 97138600) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The InChIKey is NPXVIYHDKASSII-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N6O3/c21-11(9-20-12(22)7-17-14(20)23)18-10-3-1-6-19(8-10)13-15-4-2-5-16-13/h2,4-5,10H,1,3,6-9H2,(H,17,23)(H,18,21)/t10-/m1/s1.
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide has a molecular weight of 318.34 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 97138600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).