2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

C14H18N6O — CID 91835587

IUPAC2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(Cn1ccnc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H18N6O/c21-13(10-19-8-6-15-11-19)18-12-3-1-7-20(9-12)14-16-4-2-5-17-14/h2,4-6,8,11-12H,1,3,7,9-10H2,(H,18,21)
InChIKeyBFFNOPRCTXIGFZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.46
Rot. Bonds4

About 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (PubChem CID 91835587) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
PubChem CID91835587
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(Cn1ccnc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H18N6O/c21-13(10-19-8-6-15-11-19)18-12-3-1-7-20(9-12)14-16-4-2-5-17-14/h2,4-6,8,11-12H,1,3,7,9-10H2,(H,18,21)
InChIKeyBFFNOPRCTXIGFZ-UHFFFAOYSA-N
XLogP0.46
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 97138600
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
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
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
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

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The IUPAC name of 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (CID 91835587) is 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is O=C(Cn1ccnc1)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
The InChIKey is BFFNOPRCTXIGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-13(10-19-8-6-15-11-19)18-12-3-1-7-20(9-12)14-16-4-2-5-17-14/h2,4-6,8,11-12H,1,3,7,9-10H2,(H,18,21).
What are the key properties of 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?
2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide has a molecular weight of 286.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 91835587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).