N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide

C30H32Cl2FN3O2 — CID 11671255

IUPACN,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(Cc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C30H32Cl2FN3O2/c31-25-5-1-22(2-6-25)20-34-13-11-24(12-14-34)30(37)36(21-23-3-7-26(32)8-4-23)27-9-10-29(28(33)19-27)35-15-17-38-18-16-35/h1-10,19,24H,11-18,20-21H2
InChIKeyBJITVHMUTORODG-UHFFFAOYSA-N
MW556.51 g/mol
LogP6.41
Rot. Bonds7

About N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide

N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 11671255) has the molecular formula C30H32Cl2FN3O2 and a molecular weight of 556.51 g/mol. Its IUPAC name is N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID11671255
Molecular FormulaC30H32Cl2FN3O2
Molecular Weight556.51 g/mol
Exact Mass555.19
IUPAC NameN,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(Cc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C30H32Cl2FN3O2/c31-25-5-1-22(2-6-25)20-34-13-11-24(12-14-34)30(37)36(21-23-3-7-26(32)8-4-23)27-9-10-29(28(33)19-27)35-15-17-38-18-16-35/h1-10,19,24H,11-18,20-21H2
InChIKeyBJITVHMUTORODG-UHFFFAOYSA-N
XLogP6.41
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.51
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 11671255) is N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide is O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(Cc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is BJITVHMUTORODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2FN3O2/c31-25-5-1-22(2-6-25)20-34-13-11-24(12-14-34)30(37)36(21-23-3-7-26(32)8-4-23)27-9-10-29(28(33)19-27)35-15-17-38-18-16-35/h1-10,19,24H,11-18,20-21H2.
What are the key properties of N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 556.51 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(4-chlorophenyl)methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 11671255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).