1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride

C26H35Cl2N3O5 — CID 19081946

About 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride

1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 19081946) has the molecular formula C26H35Cl2N3O5 and a molecular weight of 540.49 g/mol. Its IUPAC name is 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride
• PubChem CID: 19081946
• Molecular Formula: C26H35Cl2N3O5
• Molecular Weight: 540.49 g/mol
• Exact Mass: 539.20
• IUPAC Name: 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride
• SMILES: COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(C(N)=O)CC2)cc(OC)c1.Cl
• InChI: InChI=1S/C26H34ClN3O5.ClH/c1-33-19-11-17(12-20(13-19)34-2)16-35-25-15-23(28)22(27)14-21(25)24(31)5-3-4-8-30-9-6-18(7-10-30)26(29)32;/h11-15,18H,3-10,16,28H2,1-2H3,(H2,29,32);1H
• InChIKey: ADLQGQWAOIDXEJ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 117.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.49
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride?

The IUPAC name of 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride (CID 19081946) is 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride is COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(C(N)=O)CC2)cc(OC)c1.Cl.

What is the InChIKey of 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride?

The InChIKey is ADLQGQWAOIDXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O5.ClH/c1-33-19-11-17(12-20(13-19)34-2)16-35-25-15-23(28)22(27)14-21(25)24(31)5-3-4-8-30-9-6-18(7-10-30)26(29)32;/h11-15,18H,3-10,16,28H2,1-2H3,(H2,29,32);1H.

What are the key properties of 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride?

1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 540.49 g/mol, XLogP of 4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 19081946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).