2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C20H25N3O2 — CID 72871791

IUPAC2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(CCCc3ccccc3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c1-15-21-14-18(19(24)22-15)20(25)23-12-10-17(11-13-23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,21,22,24)
InChIKeyACPGKNFAXBYQPS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 72871791) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID72871791
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(CCCc3ccccc3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c1-15-21-14-18(19(24)22-15)20(25)23-12-10-17(11-13-23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,21,22,24)
InChIKeyACPGKNFAXBYQPS-UHFFFAOYSA-N
XLogP2.95
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 72871791) is 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC(CCCc3ccccc3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is ACPGKNFAXBYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-21-14-18(19(24)22-15)20(25)23-12-10-17(11-13-23)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,21,22,24).
What are the key properties of 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 339.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72871791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).