N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

About N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 67499994) has the molecular formula C34H40Cl3N3O4 and a molecular weight of 661.07 g/mol. Its IUPAC name is N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name	N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID	67499994
Molecular Formula	C34H40Cl3N3O4
Molecular Weight	661.07 g/mol
Exact Mass	659.21
IUPAC Name	N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILES	Cc1cc(Cl)c(OCCOc2ccc(C(=O)NC3CCNCC3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1.Cl
InChI	InChI=1S/C34H39Cl2N3O4.ClH/c1-21-17-29(35)32(30(36)18-21)43-16-15-42-27-11-7-24(8-12-27)33(40)38-31-13-14-37-19-28(31)34(41)39(26-9-10-26)20-25-6-4-5-22(2)23(25)3;/h4-8,11-12,17-18,26,28,31,37H,9-10,13-16,19-20H2,1-3H3,(H,38,40);1H
InChIKey	CZFRUEVCTKULLO-UHFFFAOYSA-N
XLogP	6.70
TPSA	79.90 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.07
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?

The IUPAC name of N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 67499994) is N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

What is the SMILES notation for N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?

The canonical SMILES for N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cc1cc(Cl)c(OCCOc2ccc(C(=O)NC3CCNCC3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1.Cl.

What is the InChIKey of N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?

The InChIKey is CZFRUEVCTKULLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39Cl2N3O4.ClH/c1-21-17-29(35)32(30(36)18-21)43-16-15-42-27-11-7-24(8-12-27)33(40)38-31-13-14-37-19-28(31)34(41)39(26-9-10-26)20-25-6-4-5-22(2)23(25)3;/h4-8,11-12,17-18,26,28,31,37H,9-10,13-16,19-20H2,1-3H3,(H,38,40);1H.

What are the key properties of N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?

N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 661.07 g/mol, XLogP of 6.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]benzoyl]amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67499994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).