N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide

C20H29FN2O2 — CID 124756832

IUPACN-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)C1CCC(O)CC1
InChIInChI=1S/C20H29FN2O2/c21-17-8-4-15(5-9-17)19(23-12-2-1-3-13-23)14-22-20(25)16-6-10-18(24)11-7-16/h4-5,8-9,16,18-19,24H,1-3,6-7,10-14H2,(H,22,25)/t16?,18?,19-/m0/s1
InChIKeyUUVBDGUDLNSETO-KVZIAJEVSA-N
MW348.46 g/mol
LogP3.02
Rot. Bonds5

About N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide

N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 124756832) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID124756832
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)C1CCC(O)CC1
InChIInChI=1S/C20H29FN2O2/c21-17-8-4-15(5-9-17)19(23-12-2-1-3-13-23)14-22-20(25)16-6-10-18(24)11-7-16/h4-5,8-9,16,18-19,24H,1-3,6-7,10-14H2,(H,22,25)/t16?,18?,19-/m0/s1
InChIKeyUUVBDGUDLNSETO-KVZIAJEVSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-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-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
CID 16931542
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892520
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-propylsulfanylacetamide
CID 118783187
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide (CID 124756832) is N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide is O=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)C1CCC(O)CC1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is UUVBDGUDLNSETO-KVZIAJEVSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-17-8-4-15(5-9-17)19(23-12-2-1-3-13-23)14-22-20(25)16-6-10-18(24)11-7-16/h4-5,8-9,16,18-19,24H,1-3,6-7,10-14H2,(H,22,25)/t16?,18?,19-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide?
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 124756832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).