N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C14H23F3N2O3 — CID 155346892

IUPACN-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1(CNC(=O)C2CCNCC2)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O.C2HF3O2/c1-12(5-2-6-12)9-14-11(15)10-3-7-13-8-4-10;3-2(4,5)1(6)7/h10,13H,2-9H2,1H3,(H,14,15);(H,6,7)
InChIKeyDFUPURFFISONKB-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.93
Rot. Bonds3

About N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155346892) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155346892
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC NameN-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1(CNC(=O)C2CCNCC2)CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O.C2HF3O2/c1-12(5-2-6-12)9-14-11(15)10-3-7-13-8-4-10;3-2(4,5)1(6)7/h10,13H,2-9H2,1H3,(H,14,15);(H,6,7)
InChIKeyDFUPURFFISONKB-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-Diazaspiro[3.5]nonan-6-one, trifluoroacetic acid
CID 170913128
2,9-Diazaspiro[5.5]undecan-1-one trifluoroacetate
CID 46861535
[(1S,3R)-3-amino-2,2-dimethylcyclobutyl]-(4-ethylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 66874348
N-butylpiperidin-1-ium-4-carboxamide;2,2,2-trifluoroacetate
CID 67032394
n-Methyl-n-piperidin-4-ylmethyl-acetamide trifluoroacetate
CID 68476071
Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
N,N-Dimethylpiperidine-4-carboxamide 2,2,2-trifluoroacetate
CID 118607702
Azetidin-1-yl(piperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 153573870
N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
CID 154998664
4-Ethyl-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155226429
N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407799
4-ethyl-N-[(3-fluorocyclobutyl)methyl]piperidine-4-carboxamide
CID 162725460

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155346892) is N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CC1(CNC(=O)C2CCNCC2)CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DFUPURFFISONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C2HF3O2/c1-12(5-2-6-12)9-14-11(15)10-3-7-13-8-4-10;3-2(4,5)1(6)7/h10,13H,2-9H2,1H3,(H,14,15);(H,6,7).
What are the key properties of N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 324.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155346892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).