N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide

C18H26FN2O+ — CID 7323463

IUPACN-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESO=C(NC1CCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-14(6-8-16)13-21-11-9-15(10-12-21)18(22)20-17-3-1-2-4-17/h5-8,15,17H,1-4,9-13H2,(H,20,22)/p+1
InChIKeySPSXAJDHDHXFAJ-UHFFFAOYSA-O
MW305.42 g/mol
LogP1.68
Rot. Bonds4

About N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide

N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 7323463) has the molecular formula C18H26FN2O+ and a molecular weight of 305.42 g/mol. Its IUPAC name is N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID7323463
Molecular FormulaC18H26FN2O+
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESO=C(NC1CCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-14(6-8-16)13-21-11-9-15(10-12-21)18(22)20-17-3-1-2-4-17/h5-8,15,17H,1-4,9-13H2,(H,20,22)/p+1
InChIKeySPSXAJDHDHXFAJ-UHFFFAOYSA-O
XLogP1.68
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6952865
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
[3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7316579
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
1-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 7477674
1-cyclohexyl-3-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-1-ium-4-yl]urea
CID 7411593
N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 43813930
N-[(2S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 7102293
1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenyl)thiourea
CID 7469935
N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide
CID 7299939
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide (CID 7323463) is N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide is O=C(NC1CCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is SPSXAJDHDHXFAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25FN2O/c19-16-7-5-14(6-8-16)13-21-11-9-15(10-12-21)18(22)20-17-3-1-2-4-17/h5-8,15,17H,1-4,9-13H2,(H,20,22)/p+1.
What are the key properties of N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide?
N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7323463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).