N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide

C30H48N4O6 — CID 59223922

About N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide

N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide (PubChem CID 59223922) has the molecular formula C30H48N4O6 and a molecular weight of 560.74 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide.

Molecular Properties

• Compound Name: N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide
• PubChem CID: 59223922
• Molecular Formula: C30H48N4O6
• Molecular Weight: 560.74 g/mol
• Exact Mass: 560.36
• IUPAC Name: N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide
• SMILES: COCCCOc1cc(C(=O)N(C(C)C)C2CCC(CCN(C(=O)CCCC(N)=O)C3CC3)NC2)ccc1OC
• InChI: InChI=1S/C30H48N4O6/c1-21(2)34(30(37)22-9-14-26(39-4)27(19-22)40-18-6-17-38-3)25-11-10-23(32-20-25)15-16-33(24-12-13-24)29(36)8-5-7-28(31)35/h9,14,19,21,23-25,32H,5-8,10-13,15-18,20H2,1-4H3,(H2,31,35)
• InChIKey: LSUCAHYGSCIAGC-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 123.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.74
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide?

The IUPAC name of N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide (CID 59223922) is N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide.

What is the SMILES notation for N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide?

The canonical SMILES for N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide is COCCCOc1cc(C(=O)N(C(C)C)C2CCC(CCN(C(=O)CCCC(N)=O)C3CC3)NC2)ccc1OC.

What is the InChIKey of N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide?

The InChIKey is LSUCAHYGSCIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N4O6/c1-21(2)34(30(37)22-9-14-26(39-4)27(19-22)40-18-6-17-38-3)25-11-10-23(32-20-25)15-16-33(24-12-13-24)29(36)8-5-7-28(31)35/h9,14,19,21,23-25,32H,5-8,10-13,15-18,20H2,1-4H3,(H2,31,35).

What are the key properties of N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide?

N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide has a molecular weight of 560.74 g/mol, XLogP of 3.12, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide is sourced from PubChem (CID 59223922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).