3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide

C16H26N4O3 — CID 43045372

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C16H26N4O3/c1-12-13(15(22)19-16(23)18-12)6-7-14(21)17-8-5-11-20-9-3-2-4-10-20/h2-11H2,1H3,(H,17,21)(H2,18,19,22,23)
InChIKeyRXJUKEHGPPYZMR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.30
Rot. Bonds7

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 43045372) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID43045372
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C16H26N4O3/c1-12-13(15(22)19-16(23)18-12)6-7-14(21)17-8-5-11-20-9-3-2-4-10-20/h2-11H2,1H3,(H,17,21)(H2,18,19,22,23)
InChIKeyRXJUKEHGPPYZMR-UHFFFAOYSA-N
XLogP0.30
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide (CID 43045372) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCN1CCCCC1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is RXJUKEHGPPYZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-13(15(22)19-16(23)18-12)6-7-14(21)17-8-5-11-20-9-3-2-4-10-20/h2-11H2,1H3,(H,17,21)(H2,18,19,22,23).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 43045372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).