2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one

C18H24N4O — CID 135509384

IUPAC2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4O/c1-2-6-15-13-17(23)21-18(20-15)19-14-7-9-16(10-8-14)22-11-4-3-5-12-22/h7-10,13H,2-6,11-12H2,1H3,(H2,19,20,21,23)
InChIKeyNYCMAIRZZXUNCT-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one

2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135509384) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135509384
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4O/c1-2-6-15-13-17(23)21-18(20-15)19-14-7-9-16(10-8-14)22-11-4-3-5-12-22/h7-10,13H,2-6,11-12H2,1H3,(H2,19,20,21,23)
InChIKeyNYCMAIRZZXUNCT-UHFFFAOYSA-N
XLogP3.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one (CID 135509384) is 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is NYCMAIRZZXUNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-6-15-13-17(23)21-18(20-15)19-14-7-9-16(10-8-14)22-11-4-3-5-12-22/h7-10,13H,2-6,11-12H2,1H3,(H2,19,20,21,23).
What are the key properties of 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one?
2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 312.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135509384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).