1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C23H28Cl2N2O2 — CID 44528940

IUPAC1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28Cl2N2O2/c1-29-16-2-13-26-23(28)19-11-14-27(15-12-19)22(17-3-7-20(24)8-4-17)18-5-9-21(25)10-6-18/h3-10,19,22H,2,11-16H2,1H3,(H,26,28)
InChIKeyIUDPDMVHBMNEEZ-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.95
Rot. Bonds8

About 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 44528940) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID44528940
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28Cl2N2O2/c1-29-16-2-13-26-23(28)19-11-14-27(15-12-19)22(17-3-7-20(24)8-4-17)18-5-9-21(25)10-6-18/h3-10,19,22H,2,11-16H2,1H3,(H,26,28)
InChIKeyIUDPDMVHBMNEEZ-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 44528940) is 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is IUDPDMVHBMNEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-29-16-2-13-26-23(28)19-11-14-27(15-12-19)22(17-3-7-20(24)8-4-17)18-5-9-21(25)10-6-18/h3-10,19,22H,2,11-16H2,1H3,(H,26,28).
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 44528940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).