N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

C17H25FN2O3 — CID 111113108

IUPACN-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(C(C)O)CC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-11(2)23-14-4-5-16(15(18)10-14)19-17(22)20-8-6-13(7-9-20)12(3)21/h4-5,10-13,21H,6-9H2,1-3H3,(H,19,22)
InChIKeyIMELULJKCLHYRE-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.24
Rot. Bonds4

About N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111113108) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111113108
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)N2CCC(C(C)O)CC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-11(2)23-14-4-5-16(15(18)10-14)19-17(22)20-8-6-13(7-9-20)12(3)21/h4-5,10-13,21H,6-9H2,1-3H3,(H,19,22)
InChIKeyIMELULJKCLHYRE-UHFFFAOYSA-N
XLogP3.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-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

(3S)-3-acetamido-N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95322997
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090893
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
4-(1-hydroxyethyl)-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 111566336
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092940

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111113108) is N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(C)Oc1ccc(NC(=O)N2CCC(C(C)O)CC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is IMELULJKCLHYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)23-14-4-5-16(15(18)10-14)19-17(22)20-8-6-13(7-9-20)12(3)21/h4-5,10-13,21H,6-9H2,1-3H3,(H,19,22).
What are the key properties of N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111113108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).