N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

C29H47N3O5 — CID 70910489

About N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (PubChem CID 70910489) has the molecular formula C29H47N3O5 and a molecular weight of 517.71 g/mol. Its IUPAC name is N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
• PubChem CID: 70910489
• Molecular Formula: C29H47N3O5
• Molecular Weight: 517.71 g/mol
• Exact Mass: 517.35
• IUPAC Name: N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
• SMILES: CCCN(CC1CC1)C(=O)CC1CCC(N(C(=O)c2ccc(OC)c(OCCCOC)c2)C(C)C)CN1
• InChI: InChI=1S/C29H47N3O5/c1-6-14-31(20-22-8-9-22)28(33)18-24-11-12-25(19-30-24)32(21(2)3)29(34)23-10-13-26(36-5)27(17-23)37-16-7-15-35-4/h10,13,17,21-22,24-25,30H,6-9,11-12,14-16,18-20H2,1-5H3
• InChIKey: GDLPHLNAOCLWGC-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.71
LogP ≤ 5	4.12
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-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

The IUPAC name of N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (CID 70910489) is N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.

What is the SMILES notation for N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

The canonical SMILES for N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is CCCN(CC1CC1)C(=O)CC1CCC(N(C(=O)c2ccc(OC)c(OCCCOC)c2)C(C)C)CN1.

What is the InChIKey of N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

The InChIKey is GDLPHLNAOCLWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N3O5/c1-6-14-31(20-22-8-9-22)28(33)18-24-11-12-25(19-30-24)32(21(2)3)29(34)23-10-13-26(36-5)27(17-23)37-16-7-15-35-4/h10,13,17,21-22,24-25,30H,6-9,11-12,14-16,18-20H2,1-5H3.

What are the key properties of N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide has a molecular weight of 517.71 g/mol, XLogP of 4.12, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 70910489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).