N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide

C12H21F3N4O2 — CID 64850824

IUPACN-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N4O2/c1-8(10(20)18-11(21)16-2)19(7-12(13,14)15)9-3-5-17-6-4-9/h8-9,17H,3-7H2,1-2H3,(H2,16,18,20,21)
InChIKeyBZQOUPRDHKMEOC-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.45
Rot. Bonds4

About N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide

N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 64850824) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID64850824
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC NameN-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCNC(=O)NC(=O)C(C)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N4O2/c1-8(10(20)18-11(21)16-2)19(7-12(13,14)15)9-3-5-17-6-4-9/h8-9,17H,3-7H2,1-2H3,(H2,16,18,20,21)
InChIKeyBZQOUPRDHKMEOC-UHFFFAOYSA-N
XLogP0.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896226
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 3692535
2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 47025084
2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53520592
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
N-(propan-2-ylcarbamoyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386855
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 75443708
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45794305
N1-((1-(tert-butylcarbamoyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754747

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide (CID 64850824) is N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide is CNC(=O)NC(=O)C(C)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is BZQOUPRDHKMEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c1-8(10(20)18-11(21)16-2)19(7-12(13,14)15)9-3-5-17-6-4-9/h8-9,17H,3-7H2,1-2H3,(H2,16,18,20,21).
What are the key properties of N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide?
N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 310.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 64850824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).