N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

C13H21F3N2O3 — CID 155407853

IUPACN-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC1CC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H20N2O.C2HF3O2/c1-9(14)13(8-10-2-3-10)11-4-6-12-7-5-11;3-2(4,5)1(6)7/h10-12H,2-8H2,1H3;(H,6,7)
InChIKeyVZPYGMLSNCFVLK-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.63
Rot. Bonds3

About N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155407853) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155407853
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC1CC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H20N2O.C2HF3O2/c1-9(14)13(8-10-2-3-10)11-4-6-12-7-5-11;3-2(4,5)1(6)7/h10-12H,2-8H2,1H3;(H,6,7)
InChIKeyVZPYGMLSNCFVLK-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 156620205
N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
CID 126511715
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155407829
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
N-cyclopropyl-N-(piperidin-4-ylmethyl)propanamide;hydrochloride
CID 126511804
N-(cyclopropylmethyl)-3-[formyl(piperidin-4-ylmethyl)amino]-2-oxobutanamide;2,2,2-trifluoroacetic acid
CID 175818543
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80549935
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 155407853) is N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is CC(=O)N(CC1CC1)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is VZPYGMLSNCFVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.C2HF3O2/c1-9(14)13(8-10-2-3-10)11-4-6-12-7-5-11;3-2(4,5)1(6)7/h10-12H,2-8H2,1H3;(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 310.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155407853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).