4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide

C20H29FN2O2 — CID 94674202

IUPAC4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESC[C@@H]1CCCCN1CCNC(=O)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H29FN2O2/c1-16-4-2-3-12-23(16)13-11-22-19(24)20(9-14-25-15-10-20)17-5-7-18(21)8-6-17/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyFIQKXQGAJXASEU-MRXNPFEDSA-N
MW348.46 g/mol
LogP2.86
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide

4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 94674202) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID94674202
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESC[C@@H]1CCCCN1CCNC(=O)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H29FN2O2/c1-16-4-2-3-12-23(16)13-11-22-19(24)20(9-14-25-15-10-20)17-5-7-18(21)8-6-17/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyFIQKXQGAJXASEU-MRXNPFEDSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674198
4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94676201
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 53110533
1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 47036265
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 120939231
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679341
1-[(4-fluorophenyl)methyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111232729
N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 126789566
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide (CID 94674202) is 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide is C[C@@H]1CCCCN1CCNC(=O)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is FIQKXQGAJXASEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-16-4-2-3-12-23(16)13-11-22-19(24)20(9-14-25-15-10-20)17-5-7-18(21)8-6-17/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 94674202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).