N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

C26H28ClN3O2 — CID 137423554

IUPACN-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](c1ccccn1)c1ccccc1Cl)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-23-11-5-4-10-22(23)25(24-12-6-7-15-28-24)29-26(31)20-13-16-30(17-14-20)18-19-32-21-8-2-1-3-9-21/h1-12,15,20,25H,13-14,16-19H2,(H,29,31)/t25-/m0/s1
InChIKeyRINPDOLWGWKWKC-VWLOTQADSA-N
MW449.98 g/mol
LogP4.73
Rot. Bonds8

About N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 137423554) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID137423554
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC NameN-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](c1ccccn1)c1ccccc1Cl)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-23-11-5-4-10-22(23)25(24-12-6-7-15-28-24)29-26(31)20-13-16-30(17-14-20)18-19-32-21-8-2-1-3-9-21/h1-12,15,20,25H,13-14,16-19H2,(H,29,31)/t25-/m0/s1
InChIKeyRINPDOLWGWKWKC-VWLOTQADSA-N
XLogP4.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 121412893
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
(4-chlorophenyl)-pyridin-2-ylmethanamine;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 161097139
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427342
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 121413383
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,6-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413311
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 137423554) is N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is O=C(N[C@H](c1ccccn1)c1ccccc1Cl)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is RINPDOLWGWKWKC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-23-11-5-4-10-22(23)25(24-12-6-7-15-28-24)29-26(31)20-13-16-30(17-14-20)18-19-32-21-8-2-1-3-9-21/h1-12,15,20,25H,13-14,16-19H2,(H,29,31)/t25-/m0/s1.
What are the key properties of N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 137423554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).