2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione

C25H33FN4O2 — CID 168985916

IUPAC2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=C1CC2CCCCN2C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C25H33FN4O2/c26-19-6-7-23-21(15-19)22(17-27-23)18-8-13-28(14-9-18)10-3-4-12-30-24(31)16-20-5-1-2-11-29(20)25(30)32/h6-7,15,17-18,20,27H,1-5,8-14,16H2
InChIKeyYOURGXQMCVGSFK-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.47
Rot. Bonds6

About 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione

2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 168985916) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID168985916
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione
SMILESO=C1CC2CCCCN2C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C25H33FN4O2/c26-19-6-7-23-21(15-19)22(17-27-23)18-8-13-28(14-9-18)10-3-4-12-30-24(31)16-20-5-1-2-11-29(20)25(30)32/h6-7,15,17-18,20,27H,1-5,8-14,16H2
InChIKeyYOURGXQMCVGSFK-UHFFFAOYSA-N
XLogP4.47
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione (CID 168985916) is 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione is O=C1CC2CCCCN2C(=O)N1CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is YOURGXQMCVGSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c26-19-6-7-23-21(15-19)22(17-27-23)18-8-13-28(14-9-18)10-3-4-12-30-24(31)16-20-5-1-2-11-29(20)25(30)32/h6-7,15,17-18,20,27H,1-5,8-14,16H2.
What are the key properties of 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione?
2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 440.56 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 168985916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).