N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

C27H30FN3O3 — CID 121413013

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](c2ccccn2)N(CCOc2ccccc2F)C(=O)C2CCNCC2)c1
InChIInChI=1S/C27H30FN3O3/c1-33-22-8-6-7-21(19-22)26(24-10-4-5-14-30-24)31(27(32)20-12-15-29-16-13-20)17-18-34-25-11-3-2-9-23(25)28/h2-11,14,19-20,26,29H,12-13,15-18H2,1H3/t26-/m0/s1
InChIKeyLPEYRWKXDCYVIL-SANMLTNESA-N
MW463.55 g/mol
LogP4.23
Rot. Bonds9

About N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 121413013) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
PubChem CID121413013
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
SMILESCOc1cccc([C@@H](c2ccccn2)N(CCOc2ccccc2F)C(=O)C2CCNCC2)c1
InChIInChI=1S/C27H30FN3O3/c1-33-22-8-6-7-21(19-22)26(24-10-4-5-14-30-24)31(27(32)20-12-15-29-16-13-20)17-18-34-25-11-3-2-9-23(25)28/h2-11,14,19-20,26,29H,12-13,15-18H2,1H3/t26-/m0/s1
InChIKeyLPEYRWKXDCYVIL-SANMLTNESA-N
XLogP4.23
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413387
N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413115
N-[2-(2-chlorophenoxy)ethyl]-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413065
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-(4-phenoxybutyl)piperidine-4-carboxamide
CID 121413426
N-[(S)-(4-chlorophenyl)-(2-fluorophenyl)methyl]-N-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413326
N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413046
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 121412934
N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 121413377
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413373
N-[[3-(3-methoxyphenyl)-2-pyridinyl]methyl]-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 121412992
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (CID 121413013) is N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is COc1cccc([C@@H](c2ccccn2)N(CCOc2ccccc2F)C(=O)C2CCNCC2)c1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is LPEYRWKXDCYVIL-SANMLTNESA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-33-22-8-6-7-21(19-22)26(24-10-4-5-14-30-24)31(27(32)20-12-15-29-16-13-20)17-18-34-25-11-3-2-9-23(25)28/h2-11,14,19-20,26,29H,12-13,15-18H2,1H3/t26-/m0/s1.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121413013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).