1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C13H21F3N4O3 — CID 42955074

IUPAC1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCNC(=O)NC(=O)C(C)N1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4O3/c1-8(10(21)19-12(23)17-2)20-5-3-9(4-6-20)11(22)18-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,18,22)(H2,17,19,21,23)
InChIKeyCZWBATYYYUBDBM-UHFFFAOYSA-N
MW338.33 g/mol
LogP0.22
Rot. Bonds4

About 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 42955074) has the molecular formula C13H21F3N4O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID42955074
Molecular FormulaC13H21F3N4O3
Molecular Weight338.33 g/mol
Exact Mass338.16
IUPAC Name1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCNC(=O)NC(=O)C(C)N1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4O3/c1-8(10(21)19-12(23)17-2)20-5-3-9(4-6-20)11(22)18-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,18,22)(H2,17,19,21,23)
InChIKeyCZWBATYYYUBDBM-UHFFFAOYSA-N
XLogP0.22
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

(2R)-2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 94377099
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 94821891
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216173
(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
CID 124741883
(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 129429877
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066593
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 95774822
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 42955074) is 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CNC(=O)NC(=O)C(C)N1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is CZWBATYYYUBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O3/c1-8(10(21)19-12(23)17-2)20-5-3-9(4-6-20)11(22)18-7-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,18,22)(H2,17,19,21,23).
What are the key properties of 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42955074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).