N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H17F3N2O2 — CID 113265453

IUPACN-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCCNC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-9(16)15-5-8-2-1-3-14-4-8/h8,14H,1-7H2,(H,15,16)
InChIKeySDPGIFBNQQOWQN-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 113265453) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID113265453
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCCNC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-9(16)15-5-8-2-1-3-14-4-8/h8,14H,1-7H2,(H,15,16)
InChIKeySDPGIFBNQQOWQN-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55061103
N-(morpholin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206342
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
2-(oxolan-3-ylmethoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119464672
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 120945294
3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564380
N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206941
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753
N-methyl-N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206366

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 113265453) is N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SDPGIFBNQQOWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-9(16)15-5-8-2-1-3-14-4-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 113265453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).