4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide

C14H27F2N3O2 — CID 111507298

IUPAC4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C14H27F2N3O2/c1-11(20)8-14(2,3)10-17-13(21)19-6-4-18(5-7-19)9-12(15)16/h11-12,20H,4-10H2,1-3H3,(H,17,21)
InChIKeyLKSGKJMFYHOZSV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.38
Rot. Bonds6

About 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide

4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide (PubChem CID 111507298) has the molecular formula C14H27F2N3O2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
PubChem CID111507298
Molecular FormulaC14H27F2N3O2
Molecular Weight307.39 g/mol
Exact Mass307.21
IUPAC Name4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C14H27F2N3O2/c1-11(20)8-14(2,3)10-17-13(21)19-6-4-18(5-7-19)9-12(15)16/h11-12,20H,4-10H2,1-3H3,(H,17,21)
InChIKeyLKSGKJMFYHOZSV-UHFFFAOYSA-N
XLogP1.38
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
N-(4-hydroxy-2,2-dimethylpentyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 111507523
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374
N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 111507302
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 111507311
N-(4-hydroxy-2,2-dimethylpentyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
CID 111619014
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N-(4-hydroxy-2,2-dimethylpentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 111507564

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide (CID 111507298) is 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide is CC(O)CC(C)(C)CNC(=O)N1CCN(CC(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
The InChIKey is LKSGKJMFYHOZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N3O2/c1-11(20)8-14(2,3)10-17-13(21)19-6-4-18(5-7-19)9-12(15)16/h11-12,20H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide is sourced from PubChem (CID 111507298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).