N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide

C26H33ClFN3O2 — CID 166797290

IUPACN-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
SMILESCC(C)C1(C(=O)NCc2cncc(Cl)c2)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C26H33ClFN3O2/c1-18(2)26(25(32)30-15-19-13-22(27)16-29-14-19)10-7-24(17-33-26)31-11-8-21(9-12-31)20-3-5-23(28)6-4-20/h3-6,13-14,16,18,21,24H,7-12,15,17H2,1-2H3,(H,30,32)
InChIKeyJYLDEXREWNEPDQ-UHFFFAOYSA-N
MW474.02 g/mol
LogP4.94
Rot. Bonds6

About N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide

N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide (PubChem CID 166797290) has the molecular formula C26H33ClFN3O2 and a molecular weight of 474.02 g/mol. Its IUPAC name is N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
PubChem CID166797290
Molecular FormulaC26H33ClFN3O2
Molecular Weight474.02 g/mol
Exact Mass473.22
IUPAC NameN-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
SMILESCC(C)C1(C(=O)NCc2cncc(Cl)c2)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C26H33ClFN3O2/c1-18(2)26(25(32)30-15-19-13-22(27)16-29-14-19)10-7-24(17-33-26)31-11-8-21(9-12-31)20-3-5-23(28)6-4-20/h3-6,13-14,16,18,21,24H,7-12,15,17H2,1-2H3,(H,30,32)
InChIKeyJYLDEXREWNEPDQ-UHFFFAOYSA-N
XLogP4.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.02
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide
CID 166797262
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
CID 145191749
(2S)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxane-2-carboxamide
CID 131992284
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
CID 145191823
N-[(3,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10139328
2-cyclopropyl-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide
CID 131992276
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10206459
ethyl 5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxylate;ethyl 5-hydroxy-2-propan-2-yloxane-2-carboxylate;ethyl 5-oxo-2-propan-2-yloxane-2-carboxylate;ethyl 2-propan-2-yl-3,4-dihydropyran-2-carboxylate;1-(4-fluorophenyl)piperazine;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxylic acid;(2S,5R)-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]oxane-2-carboxamide;methane;[5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 159065805
N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
CID 10274899
cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(2-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 10144709
(2S)-2-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-(4-pyridin-3-ylpiperidin-1-yl)oxane-2-carboxamide
CID 145191747
methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 59049917

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide?
The IUPAC name of N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide (CID 166797290) is N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide?
The canonical SMILES for N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide is CC(C)C1(C(=O)NCc2cncc(Cl)c2)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1.
What is the InChIKey of N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide?
The InChIKey is JYLDEXREWNEPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClFN3O2/c1-18(2)26(25(32)30-15-19-13-22(27)16-29-14-19)10-7-24(17-33-26)31-11-8-21(9-12-31)20-3-5-23(28)6-4-20/h3-6,13-14,16,18,21,24H,7-12,15,17H2,1-2H3,(H,30,32).
What are the key properties of N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide?
N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide has a molecular weight of 474.02 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide is sourced from PubChem (CID 166797290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).