N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide

C22H31FN2O2 — CID 126789566

IUPACN-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(NC1CCN(C2CCCC2)CC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C22H31FN2O2/c23-18-7-5-17(6-8-18)22(11-15-27-16-12-22)21(26)24-19-9-13-25(14-10-19)20-3-1-2-4-20/h5-8,19-20H,1-4,9-16H2,(H,24,26)
InChIKeyIOZZFKIGUYFUTK-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.40
Rot. Bonds4

About N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide

N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 126789566) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID126789566
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESO=C(NC1CCN(C2CCCC2)CC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C22H31FN2O2/c23-18-7-5-17(6-8-18)22(11-15-27-16-12-22)21(26)24-19-9-13-25(14-10-19)20-3-1-2-4-20/h5-8,19-20H,1-4,9-16H2,(H,24,26)
InChIKeyIOZZFKIGUYFUTK-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230001
N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 95161026
4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
CID 60582793
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 71926291
N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68577879
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
CID 68578403
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide (CID 126789566) is N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide is O=C(NC1CCN(C2CCCC2)CC1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is IOZZFKIGUYFUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c23-18-7-5-17(6-8-18)22(11-15-27-16-12-22)21(26)24-19-9-13-25(14-10-19)20-3-1-2-4-20/h5-8,19-20H,1-4,9-16H2,(H,24,26).
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide?
N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-4-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 126789566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).