N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

C15H25F3N2O3 — CID 155407799

IUPACN-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC1(C)CCC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O.C2HF3O2/c1-11(16)15(10-13(2)6-3-7-13)12-4-8-14-9-5-12;3-2(4,5)1(6)7/h12,14H,3-10H2,1-2H3;(H,6,7)
InChIKeyPBCDJVNBGJINHO-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.41
Rot. Bonds3

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

N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155407799) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155407799
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC NameN-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC1(C)CCC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O.C2HF3O2/c1-11(16)15(10-13(2)6-3-7-13)12-4-8-14-9-5-12;3-2(4,5)1(6)7/h12,14H,3-10H2,1-2H3;(H,6,7)
InChIKeyPBCDJVNBGJINHO-UHFFFAOYSA-N
XLogP2.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-{2,7-Diazaspiro[3.5]nonan-7-yl}ethan-1-one; trifluoroacetic acid
CID 132353978
5,5-Dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
CID 17982929
N-Methyl-N-piperidin-4-yl-acetamide trifluoroacetate
CID 68475367
(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
CID 87890861
4-Acetamido-3,3-difluoropiperidine-1-carboxylic acid
CID 122457751
N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
CID 126511715
N-ethyl-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 126511748
N-[1-(6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-ethylacetamide;2,2,2-trifluoroacetic acid
CID 126511796
N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
CID 154998664
N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155130926
N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155346892
N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407758

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 155407799) is N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is CC(=O)N(CC1(C)CCC1)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PBCDJVNBGJINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C2HF3O2/c1-11(16)15(10-13(2)6-3-7-13)12-4-8-14-9-5-12;3-2(4,5)1(6)7/h12,14H,3-10H2,1-2H3;(H,6,7).
What are the key properties of N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 338.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155407799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).