N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

C14H23F3N2O — CID 123475510

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC1CCN(CCNC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C14H23F3N2O/c1-11-3-8-19(9-4-11)10-7-18-12(20)13(5-2-6-13)14(15,16)17/h11H,2-10H2,1H3,(H,18,20)
InChIKeyAJQYPUPGLJWLHB-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.57
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 123475510) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID123475510
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC1CCN(CCNC(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C14H23F3N2O/c1-11-3-8-19(9-4-11)10-7-18-12(20)13(5-2-6-13)14(15,16)17/h11H,2-10H2,1H3,(H,18,20)
InChIKeyAJQYPUPGLJWLHB-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclobutanecarbonylpiperazine
CID 16777642
4-Methyl-1-(piperazin-1-yl)pentan-1-one
CID 20596588
N-[2-(piperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 43600320
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
(6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one
CID 164629546
N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 16005577
3,3,3-Trifluoro-1-[4-methyl-3-(methylamino)piperidin-1-yl]propan-1-one
CID 21983824
4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 55174367
2,2-difluoro-4-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 57700454
1-(2,9-Diazaspiro[5.5]undecan-9-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700553
1-[4-(Aminomethyl)piperidin-1-yl]-2,2-difluoro-4-methylpentan-1-one
CID 57700582
1-(2,8-Diazaspiro[4.5]decan-2-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700641

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 123475510) is N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is CC1CCN(CCNC(=O)C2(C(F)(F)F)CCC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is AJQYPUPGLJWLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-11-3-8-19(9-4-11)10-7-18-12(20)13(5-2-6-13)14(15,16)17/h11H,2-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 123475510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).