N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C32H41N5O3 — CID 22260432

About N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260432) has the molecular formula C32H41N5O3 and a molecular weight of 543.71 g/mol. Its IUPAC name is N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
• PubChem CID: 22260432
• Molecular Formula: C32H41N5O3
• Molecular Weight: 543.71 g/mol
• Exact Mass: 543.32
• IUPAC Name: N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
• SMILES: N#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCN(c2cccc(-c3ccccc3)c2)CC1
• InChI: InChI=1S/C32H41N5O3/c33-24-32(14-16-36(17-15-32)28-13-7-12-27(23-28)26-10-5-2-6-11-26)35-30(38)29(22-25-8-3-1-4-9-25)34-31(39)37-18-20-40-21-19-37/h2,5-7,10-13,23,25,29H,1,3-4,8-9,14-22H2,(H,34,39)(H,35,38)
• InChIKey: ZXWQXGCYSGNZRM-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 97.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.71
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

The IUPAC name of N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260432) is N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is N#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCN(c2cccc(-c3ccccc3)c2)CC1.

What is the InChIKey of N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

The InChIKey is ZXWQXGCYSGNZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3/c33-24-32(14-16-36(17-15-32)28-13-7-12-27(23-28)26-10-5-2-6-11-26)35-30(38)29(22-25-8-3-1-4-9-25)34-31(39)37-18-20-40-21-19-37/h2,5-7,10-13,23,25,29H,1,3-4,8-9,14-22H2,(H,34,39)(H,35,38).

What are the key properties of N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?

N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 543.71 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).