N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide

C14H23F4N3O2 — CID 111335675

IUPACN-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H23F4N3O2/c15-12(16)14(17,18)9-20-5-7-21(8-6-20)13(23)19-10-1-3-11(22)4-2-10/h10-12,22H,1-9H2,(H,19,23)
InChIKeyBSBVHGMIDJJRRT-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.52
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide

N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide (PubChem CID 111335675) has the molecular formula C14H23F4N3O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
PubChem CID111335675
Molecular FormulaC14H23F4N3O2
Molecular Weight341.35 g/mol
Exact Mass341.17
IUPAC NameN-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H23F4N3O2/c15-12(16)14(17,18)9-20-5-7-21(8-6-20)13(23)19-10-1-3-11(22)4-2-10/h10-12,22H,1-9H2,(H,19,23)
InChIKeyBSBVHGMIDJJRRT-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950
4-(2-amino-2-methylpropyl)-N-cyclohexylpiperazine-1-carboxamide
CID 120847763
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 119887988
2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
CID 119135540
N-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidin-3-amine
CID 106294062
2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119887927
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 91942292
(2S)-2-amino-3,3-dimethyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
CID 119887954
4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
CID 119887986
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 120941906
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63309757
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide
CID 146123613

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide (CID 111335675) is N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
The InChIKey is BSBVHGMIDJJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F4N3O2/c15-12(16)14(17,18)9-20-5-7-21(8-6-20)13(23)19-10-1-3-11(22)4-2-10/h10-12,22H,1-9H2,(H,19,23).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide?
N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide is sourced from PubChem (CID 111335675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).