5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C18H23N5O3 — CID 72880829

IUPAC5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C18H23N5O3/c24-16-14(9-20-18(26)21-16)17(25)23-7-2-5-13(11-23)15-19-6-8-22(15)10-12-3-1-4-12/h6,8-9,12-13H,1-5,7,10-11H2,(H2,20,21,24,26)
InChIKeyKDHINNBIYBYBCE-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.08
Rot. Bonds4

About 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72880829) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72880829
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C18H23N5O3/c24-16-14(9-20-18(26)21-16)17(25)23-7-2-5-13(11-23)15-19-6-8-22(15)10-12-3-1-4-12/h6,8-9,12-13H,1-5,7,10-11H2,(H2,20,21,24,26)
InChIKeyKDHINNBIYBYBCE-UHFFFAOYSA-N
XLogP1.08
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 72880829) is 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)N1CCCC(c2nccn2CC2CCC2)C1.
What is the InChIKey of 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KDHINNBIYBYBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-16-14(9-20-18(26)21-16)17(25)23-7-2-5-13(11-23)15-19-6-8-22(15)10-12-3-1-4-12/h6,8-9,12-13H,1-5,7,10-11H2,(H2,20,21,24,26).
What are the key properties of 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72880829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).