1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea

C11H20F3N3O — CID 113225924

IUPAC1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(CNC(=O)NCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H20F3N3O/c1-9(17-5-3-2-4-6-17)7-15-10(18)16-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,18)
InChIKeyGERDCZNUYISWIW-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.72
Rot. Bonds4

About 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113225924) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113225924
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(CNC(=O)NCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H20F3N3O/c1-9(17-5-3-2-4-6-17)7-15-10(18)16-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,18)
InChIKeyGERDCZNUYISWIW-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94112660
2-pyrrolidin-1-ylpropylurea
CID 112728366
3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
CID 103159150
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112502367
1-(2,2,2-trifluoroethyl)-3-(2,3,3-trimethylbutyl)urea
CID 115629640
2-methyl-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 62669013
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea (CID 113225924) is 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea is CC(CNC(=O)NCC(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GERDCZNUYISWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-9(17-5-3-2-4-6-17)7-15-10(18)16-8-11(12,13)14/h9H,2-8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 267.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113225924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).