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

C15H21N3O4 — CID 72855325

IUPAC6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C15H21N3O4/c19-9-15(7-10-2-3-10)4-1-5-18(8-15)13(21)11-6-12(20)17-14(22)16-11/h6,10,19H,1-5,7-9H2,(H2,16,17,20,22)
InChIKeyXFEVPRSUPDGCCP-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.08
Rot. Bonds4

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

6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72855325) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72855325
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C15H21N3O4/c19-9-15(7-10-2-3-10)4-1-5-18(8-15)13(21)11-6-12(20)17-14(22)16-11/h6,10,19H,1-5,7-9H2,(H2,16,17,20,22)
InChIKeyXFEVPRSUPDGCCP-UHFFFAOYSA-N
XLogP0.08
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 72855325) is 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC(CO)(CC2CC2)C1.
What is the InChIKey of 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XFEVPRSUPDGCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-9-15(7-10-2-3-10)4-1-5-18(8-15)13(21)11-6-12(20)17-14(22)16-11/h6,10,19H,1-5,7-9H2,(H2,16,17,20,22).
What are the key properties of 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 307.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72855325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).