5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C10H14N4O3 — CID 43556272

IUPAC5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O3/c11-6-1-3-14(4-2-6)9(16)7-5-12-10(17)13-8(7)15/h5-6H,1-4,11H2,(H2,12,13,15,17)
InChIKeyKTBXEGXROLGGHM-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.37
Rot. Bonds1

About 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 43556272) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID43556272
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O3/c11-6-1-3-14(4-2-6)9(16)7-5-12-10(17)13-8(7)15/h5-6H,1-4,11H2,(H2,12,13,15,17)
InChIKeyKTBXEGXROLGGHM-UHFFFAOYSA-N
XLogP-1.37
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 43556272) is 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is NC1CCN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is KTBXEGXROLGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-6-1-3-14(4-2-6)9(16)7-5-12-10(17)13-8(7)15/h5-6H,1-4,11H2,(H2,12,13,15,17).
What are the key properties of 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43556272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).