2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide

C14H25F3N4O2 — CID 132971508

IUPAC2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
SMILESCC(C)(C)C(NC(N)=O)C(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O2/c1-13(2,3)10(20-12(18)23)11(22)19-9-4-6-21(7-5-9)8-14(15,16)17/h9-10H,4-8H2,1-3H3,(H,19,22)(H3,18,20,23)
InChIKeyXYEDOLAUPVYBRY-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.21
Rot. Bonds4

About 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide

2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide (PubChem CID 132971508) has the molecular formula C14H25F3N4O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
PubChem CID132971508
Molecular FormulaC14H25F3N4O2
Molecular Weight338.37 g/mol
Exact Mass338.19
IUPAC Name2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
SMILESCC(C)(C)C(NC(N)=O)C(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O2/c1-13(2,3)10(20-12(18)23)11(22)19-9-4-6-21(7-5-9)8-14(15,16)17/h9-10H,4-8H2,1-3H3,(H,19,22)(H3,18,20,23)
InChIKeyXYEDOLAUPVYBRY-UHFFFAOYSA-N
XLogP1.21
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53599054
3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 71868030
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 72044074
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 72141067
N1-((1-(tert-butylcarbamoyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754747
1-(2,2-Difluoroethyl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-propylurea
CID 56825418
(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide
CID 164633751
N-[(2S)-1-[cyano(methyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992877
N-[(2S)-1-(cyanomethylamino)-4,4-difluoro-1-oxopentan-2-yl]-5-azaspiro[2.5]octane-5-carboxamide
CID 57946148
N-[(2S)-1-(cyanomethylamino)-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 57946215
N-[(2S)-1-[(4-amino-1-methylpiperidin-4-yl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 70307005
N-[(2S)-1-(aminomethylamino)-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 70307015

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
The IUPAC name of 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide (CID 132971508) is 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide is CC(C)(C)C(NC(N)=O)C(=O)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
The InChIKey is XYEDOLAUPVYBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2/c1-13(2,3)10(20-12(18)23)11(22)19-9-4-6-21(7-5-9)8-14(15,16)17/h9-10H,4-8H2,1-3H3,(H,19,22)(H3,18,20,23).
What are the key properties of 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide has a molecular weight of 338.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 132971508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).