4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C12H22FN3O2 — CID 119104743

IUPAC4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(CCF)CC1
InChIInChI=1S/C12H22FN3O2/c13-3-4-15-5-7-16(8-6-15)12(17)14-10-11-2-1-9-18-11/h11H,1-10H2,(H,14,17)
InChIKeyCTGOMXGWSKZQBN-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.46
Rot. Bonds4

About 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 119104743) has the molecular formula C12H22FN3O2 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID119104743
Molecular FormulaC12H22FN3O2
Molecular Weight259.32 g/mol
Exact Mass259.17
IUPAC Name4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(CCF)CC1
InChIInChI=1S/C12H22FN3O2/c13-3-4-15-5-7-16(8-6-15)12(17)14-10-11-2-1-9-18-11/h11H,1-10H2,(H,14,17)
InChIKeyCTGOMXGWSKZQBN-UHFFFAOYSA-N
XLogP0.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
2-[4-(Oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]acetamide
CID 53502199
3-(2,2-Difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86817987
N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
CID 735630
3-[1-(2,2-Difluoroethyl)piperidin-4-yl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 72145137
1-Ethyl-3-(3-fluoropropyl)-1-(oxolan-2-ylmethyl)urea
CID 86817999
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762779
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95762780
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615590
3-(2,2-difluoroethyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 99615592
1-ethyl-3-(3-fluoropropyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99615634

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 119104743) is 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is O=C(NCC1CCCO1)N1CCN(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is CTGOMXGWSKZQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O2/c13-3-4-15-5-7-16(8-6-15)12(17)14-10-11-2-1-9-18-11/h11H,1-10H2,(H,14,17).
What are the key properties of 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 259.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 119104743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).