N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide

C25H29FN2O2 — CID 45205357

IUPACN-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2ccc(C#CCCO)cc2)C1)Nc1ccccc1F
InChIInChI=1S/C25H29FN2O2/c26-23-8-1-2-9-24(23)27-25(30)15-14-21-7-5-16-28(18-21)19-22-12-10-20(11-13-22)6-3-4-17-29/h1-2,8-13,21,29H,4-5,7,14-19H2,(H,27,30)
InChIKeyHAWUOPIISSKHON-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.19
Rot. Bonds7

About N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide (PubChem CID 45205357) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
PubChem CID45205357
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2ccc(C#CCCO)cc2)C1)Nc1ccccc1F
InChIInChI=1S/C25H29FN2O2/c26-23-8-1-2-9-24(23)27-25(30)15-14-21-7-5-16-28(18-21)19-22-12-10-20(11-13-22)6-3-4-17-29/h1-2,8-13,21,29H,4-5,7,14-19H2,(H,27,30)
InChIKeyHAWUOPIISSKHON-UHFFFAOYSA-N
XLogP4.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide 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-(2-fluorophenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 42415624
N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 45187738
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
CID 45194818
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42195090
3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42516110
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45173449
3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42307306
N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 45224423
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]propanamide
CID 42403686
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26327141

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide (CID 45205357) is N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(Cc2ccc(C#CCCO)cc2)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide?
The InChIKey is HAWUOPIISSKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c26-23-8-1-2-9-24(23)27-25(30)15-14-21-7-5-16-28(18-21)19-22-12-10-20(11-13-22)6-3-4-17-29/h1-2,8-13,21,29H,4-5,7,14-19H2,(H,27,30).
What are the key properties of N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide has a molecular weight of 408.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45205357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).