N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide

C32H37N5O5 — CID 21303344

About N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide

N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide (PubChem CID 21303344) has the molecular formula C32H37N5O5 and a molecular weight of 571.68 g/mol. Its IUPAC name is N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide
• PubChem CID: 21303344
• Molecular Formula: C32H37N5O5
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.28
• IUPAC Name: N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide
• SMILES: CCCC(=O)C1(c2ccccc2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C2Cc3cncn3C(=O)N2)CC1
• InChI: InChI=1S/C32H37N5O5/c1-3-7-28(38)32(23-8-5-4-6-9-23)14-16-36(17-15-32)30(40)27(18-22-10-12-25(42-2)13-11-22)34-29(39)26-19-24-20-33-21-37(24)31(41)35-26/h4-6,8-13,20-21,26-27H,3,7,14-19H2,1-2H3,(H,34,39)(H,35,41)
• InChIKey: FIAPXWRHIUYWNH-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 122.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide?

The IUPAC name of N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide (CID 21303344) is N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide?

The canonical SMILES for N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide is CCCC(=O)C1(c2ccccc2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C2Cc3cncn3C(=O)N2)CC1.

What is the InChIKey of N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide?

The InChIKey is FIAPXWRHIUYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O5/c1-3-7-28(38)32(23-8-5-4-6-9-23)14-16-36(17-15-32)30(40)27(18-22-10-12-25(42-2)13-11-22)34-29(39)26-19-24-20-33-21-37(24)31(41)35-26/h4-6,8-13,20-21,26-27H,3,7,14-19H2,1-2H3,(H,34,39)(H,35,41).

What are the key properties of N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide?

N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide has a molecular weight of 571.68 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 21303344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).