5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

C27H30ClN3O — CID 73211705

IUPAC5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NCc2cccc(Cl)c2)C1
InChIInChI=1S/C27H30ClN3O/c28-24-13-7-8-20(14-24)16-30-25-15-23(17-29-18-25)27(32)31-19-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25-26,29-30H,15-19H2,(H,31,32)
InChIKeyZLZVXXLSVVORPS-UHFFFAOYSA-N
MW448.01 g/mol
LogP4.36
Rot. Bonds8

About 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (PubChem CID 73211705) has the molecular formula C27H30ClN3O and a molecular weight of 448.01 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
PubChem CID73211705
Molecular FormulaC27H30ClN3O
Molecular Weight448.01 g/mol
Exact Mass447.21
IUPAC Name5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NCc2cccc(Cl)c2)C1
InChIInChI=1S/C27H30ClN3O/c28-24-13-7-8-20(14-24)16-30-25-15-23(17-29-18-25)27(32)31-19-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25-26,29-30H,15-19H2,(H,31,32)
InChIKeyZLZVXXLSVVORPS-UHFFFAOYSA-N
XLogP4.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 91046890
(3S,5R)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158286897
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
(3S,5S)-N-[2-(4-chlorophenyl)-2-phenylethyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
CID 91244776
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
(3S,5R)-5-[(2-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157493547
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide
CID 70316499
N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide
CID 143390445
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73214828
(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 90767512
5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73211623

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (CID 73211705) is 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NCc2cccc(Cl)c2)C1.
What is the InChIKey of 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The InChIKey is ZLZVXXLSVVORPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O/c28-24-13-7-8-20(14-24)16-30-25-15-23(17-29-18-25)27(32)31-19-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,25-26,29-30H,15-19H2,(H,31,32).
What are the key properties of 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide has a molecular weight of 448.01 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 73211705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).