N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate

C13H21F3N2O3 — CID 67032239

IUPACN-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
SMILESO=C(NC1CCCC1)C1CC[NH2+]CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C11H20N2O.C2HF3O2/c14-11(9-5-7-12-8-6-9)13-10-3-1-2-4-10;3-2(4,5)1(6)7/h9-10,12H,1-8H2,(H,13,14);(H,6,7)
InChIKeyNHARWJZZRREPOE-UHFFFAOYSA-N
MW310.32 g/mol
LogP-0.68
Rot. Bonds2

About N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate

N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate (PubChem CID 67032239) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate.

Molecular Properties

Compound NameN-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
PubChem CID67032239
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
SMILESO=C(NC1CCCC1)C1CC[NH2+]CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C11H20N2O.C2HF3O2/c14-11(9-5-7-12-8-6-9)13-10-3-1-2-4-10;3-2(4,5)1(6)7/h9-10,12H,1-8H2,(H,13,14);(H,6,7)
InChIKeyNHARWJZZRREPOE-UHFFFAOYSA-N
XLogP-0.68
TPSA85.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentylpiperidine-4-carboxamide hydrochloride
CID 56832110
2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide
CID 22040242
[4-(Butylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 67032223
[4-(Cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 67032240
N-butylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
CID 67032394
Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
N-(piperidin-1-ium-4-ylmethyl)acetamide;2,2,2-trifluoroacetate
CID 68875024
4-(Acetamidoethyl)piperidinium trifluoroacetate
CID 68877988
(3S)-N-cyclopentylpyrrolidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate
CID 87343540
N,N-Dimethylpiperidine-4-carboxamide 2,2,2-trifluoroacetate
CID 118607702
3,3-difluoro-N-(2-methylpropyl)piperidine-4-carboxamide
CID 121620279
N-(1,1,1-trifluoropropan-2-yl)piperidine-4-carboxamide
CID 124199643

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate?
The IUPAC name of N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate (CID 67032239) is N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate.
What is the SMILES notation for N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate?
The canonical SMILES for N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate is O=C(NC1CCCC1)C1CC[NH2+]CC1.O=C([O-])C(F)(F)F.
What is the InChIKey of N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate?
The InChIKey is NHARWJZZRREPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.C2HF3O2/c14-11(9-5-7-12-8-6-9)13-10-3-1-2-4-10;3-2(4,5)1(6)7/h9-10,12H,1-8H2,(H,13,14);(H,6,7).
What are the key properties of N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate?
N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate has a molecular weight of 310.32 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate is sourced from PubChem (CID 67032239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).