N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C19H27FN2O2 — CID 111438681

IUPACN-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC(c2ccc(F)cc2)C2CCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-13(23)14-9-11-22(12-10-14)19(24)21-18(15-3-2-4-15)16-5-7-17(20)8-6-16/h5-8,13-15,18,23H,2-4,9-12H2,1H3,(H,21,24)
InChIKeyAUMKMXFFIPFYBI-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.47
Rot. Bonds4

About N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438681) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438681
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NC(c2ccc(F)cc2)C2CCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-13(23)14-9-11-22(12-10-14)19(24)21-18(15-3-2-4-15)16-5-7-17(20)8-6-16/h5-8,13-15,18,23H,2-4,9-12H2,1H3,(H,21,24)
InChIKeyAUMKMXFFIPFYBI-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[cyclobutyl-(4-fluorophenyl)methyl]-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

N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95598616
N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892089
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438888
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide
CID 19772004
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438681) is N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NC(c2ccc(F)cc2)C2CCC2)CC1.
What is the InChIKey of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is AUMKMXFFIPFYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-13(23)14-9-11-22(12-10-14)19(24)21-18(15-3-2-4-15)16-5-7-17(20)8-6-16/h5-8,13-15,18,23H,2-4,9-12H2,1H3,(H,21,24).
What are the key properties of N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).