1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide

C26H29N3O2 — CID 137423471

IUPAC1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C26H29N3O2/c30-26(28-25(21-9-3-1-4-10-21)24-13-7-8-16-27-24)22-14-17-29(18-15-22)19-20-31-23-11-5-2-6-12-23/h1-13,16,22,25H,14-15,17-20H2,(H,28,30)/t25-/m1/s1
InChIKeyFRVUCRHDHVXXLX-RUZDIDTESA-N
MW415.54 g/mol
LogP4.08
Rot. Bonds8

About 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide

1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 137423471) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID137423471
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C26H29N3O2/c30-26(28-25(21-9-3-1-4-10-21)24-13-7-8-16-27-24)22-14-17-29(18-15-22)19-20-31-23-11-5-2-6-12-23/h1-13,16,22,25H,14-15,17-20H2,(H,28,30)/t25-/m1/s1
InChIKeyFRVUCRHDHVXXLX-RUZDIDTESA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423554
N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427342
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 121413383
(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
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 121412893
(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
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
1-[2-(2-fluorophenoxy)ethyl]-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 137423734

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide (CID 137423471) is 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide is O=C(N[C@H](c1ccccc1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FRVUCRHDHVXXLX-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O2/c30-26(28-25(21-9-3-1-4-10-21)24-13-7-8-16-27-24)22-14-17-29(18-15-22)19-20-31-23-11-5-2-6-12-23/h1-13,16,22,25H,14-15,17-20H2,(H,28,30)/t25-/m1/s1.
What are the key properties of 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 137423471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).