6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H19N3O4 — CID 72858085

IUPAC6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESC=CCC1(CO)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H19N3O4/c1-2-4-14(9-18)5-3-6-17(8-14)12(20)10-7-11(19)16-13(21)15-10/h2,7,18H,1,3-6,8-9H2,(H2,15,16,19,21)
InChIKeyZKDXHJIQQJQAJI-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.15
Rot. Bonds4

About 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72858085) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72858085
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESC=CCC1(CO)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H19N3O4/c1-2-4-14(9-18)5-3-6-17(8-14)12(20)10-7-11(19)16-13(21)15-10/h2,7,18H,1,3-6,8-9H2,(H2,15,16,19,21)
InChIKeyZKDXHJIQQJQAJI-UHFFFAOYSA-N
XLogP-0.15
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 72858085) is 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is C=CCC1(CO)CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZKDXHJIQQJQAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-4-14(9-18)5-3-6-17(8-14)12(20)10-7-11(19)16-13(21)15-10/h2,7,18H,1,3-6,8-9H2,(H2,15,16,19,21).
What are the key properties of 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 293.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72858085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).