N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C14H20N4O3 — CID 127427953

IUPACN-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NC2CCN(C3CC3)CC2)c1=O
InChIInChI=1S/C14H20N4O3/c1-17-13(20)11(8-15-14(17)21)12(19)16-9-4-6-18(7-5-9)10-2-3-10/h8-10H,2-7H2,1H3,(H,15,21)(H,16,19)
InChIKeyJYYAESXRQNIGDK-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.57
Rot. Bonds3

About N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 127427953) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID127427953
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NC2CCN(C3CC3)CC2)c1=O
InChIInChI=1S/C14H20N4O3/c1-17-13(20)11(8-15-14(17)21)12(19)16-9-4-6-18(7-5-9)10-2-3-10/h8-10H,2-7H2,1H3,(H,15,21)(H,16,19)
InChIKeyJYYAESXRQNIGDK-UHFFFAOYSA-N
XLogP-0.57
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 127427953) is N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NC2CCN(C3CC3)CC2)c1=O.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JYYAESXRQNIGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17-13(20)11(8-15-14(17)21)12(19)16-9-4-6-18(7-5-9)10-2-3-10/h8-10H,2-7H2,1H3,(H,15,21)(H,16,19).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 127427953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).