N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide

C30H40F2N2O5 — CID 68514805

About N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide

N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 68514805) has the molecular formula C30H40F2N2O5 and a molecular weight of 546.66 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
• PubChem CID: 68514805
• Molecular Formula: C30H40F2N2O5
• Molecular Weight: 546.66 g/mol
• Exact Mass: 546.29
• IUPAC Name: N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
• SMILES: COCCCc1cc(CN(C(=O)C2CNCCC2(OC)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1
• InChI: InChI=1S/C30H40F2N2O5/c1-36-12-4-5-21-15-22(17-25(16-21)39-14-13-37-2)20-34(24-7-8-24)29(35)26-19-33-11-10-30(26,38-3)23-6-9-27(31)28(32)18-23/h6,9,15-18,24,26,33H,4-5,7-8,10-14,19-20H2,1-3H3
• InChIKey: ZCPGQCGNFWAJKM-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 69.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.66
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide (CID 68514805) is N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide is COCCCc1cc(CN(C(=O)C2CNCCC2(OC)c2ccc(F)c(F)c2)C2CC2)cc(OCCOC)c1.

What is the InChIKey of N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

The InChIKey is ZCPGQCGNFWAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F2N2O5/c1-36-12-4-5-21-15-22(17-25(16-21)39-14-13-37-2)20-34(24-7-8-24)29(35)26-19-33-11-10-30(26,38-3)23-6-9-27(31)28(32)18-23/h6,9,15-18,24,26,33H,4-5,7-8,10-14,19-20H2,1-3H3.

What are the key properties of N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 546.66 g/mol, XLogP of 4.21, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-(3,4-difluorophenyl)-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 68514805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).