(1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate

C11H18N4O3 — CID 91055597

IUPAC(1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate
SMILESNC(=O)N1CCCN=C1OC(=O)C1CCNCC1
InChIInChI=1S/C11H18N4O3/c12-10(17)15-7-1-4-14-11(15)18-9(16)8-2-5-13-6-3-8/h8,13H,1-7H2,(H2,12,17)
InChIKeyCDTRVXFWJRSHLE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.33
Rot. Bonds1

About (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate

(1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate (PubChem CID 91055597) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate.

Molecular Properties

Compound Name(1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate
PubChem CID91055597
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate
SMILESNC(=O)N1CCCN=C1OC(=O)C1CCNCC1
InChIInChI=1S/C11H18N4O3/c12-10(17)15-7-1-4-14-11(15)18-9(16)8-2-5-13-6-3-8/h8,13H,1-7H2,(H2,12,17)
InChIKeyCDTRVXFWJRSHLE-UHFFFAOYSA-N
XLogP-0.33
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate?
The IUPAC name of (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate (CID 91055597) is (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate.
What is the SMILES notation for (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate?
The canonical SMILES for (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate is NC(=O)N1CCCN=C1OC(=O)C1CCNCC1.
What is the InChIKey of (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate?
The InChIKey is CDTRVXFWJRSHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c12-10(17)15-7-1-4-14-11(15)18-9(16)8-2-5-13-6-3-8/h8,13H,1-7H2,(H2,12,17).
What are the key properties of (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate?
(1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-5,6-dihydro-4H-pyrimidin-2-yl) piperidine-4-carboxylate is sourced from PubChem (CID 91055597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).