N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide

C19H27FN2O3 — CID 155996043

IUPACN-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O
InChIInChI=1S/C19H27FN2O3/c20-15-2-1-3-16(11-15)25-17-5-4-14(19(17)24)12-22-18(23)10-13-6-8-21-9-7-13/h1-3,11,13-14,17,19,21,24H,4-10,12H2,(H,22,23)/t14-,17-,19-/m1/s1
InChIKeyMIBXNNURULVFFX-LSBZLQRGSA-N
MW350.43 g/mol
LogP1.85
Rot. Bonds6

About N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide

N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide (PubChem CID 155996043) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide
PubChem CID155996043
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O
InChIInChI=1S/C19H27FN2O3/c20-15-2-1-3-16(11-15)25-17-5-4-14(19(17)24)12-22-18(23)10-13-6-8-21-9-7-13/h1-3,11,13-14,17,19,21,24H,4-10,12H2,(H,22,23)/t14-,17-,19-/m1/s1
InChIKeyMIBXNNURULVFFX-LSBZLQRGSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide 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-[[(1R,2R,3R)-2-hydroxy-3-phenoxycyclohexyl]methyl]-2-piperidin-4-ylacetamide
CID 155996016
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
N-[2-(3,5-difluorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119759116
(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 171700411
N-[3-(2-methylpropoxy)phenyl]-2-piperidin-4-ylacetamide
CID 61030317
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide (CID 155996043) is N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O.
What is the InChIKey of N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide?
The InChIKey is MIBXNNURULVFFX-LSBZLQRGSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-15-2-1-3-16(11-15)25-17-5-4-14(19(17)24)12-22-18(23)10-13-6-8-21-9-7-13/h1-3,11,13-14,17,19,21,24H,4-10,12H2,(H,22,23)/t14-,17-,19-/m1/s1.
What are the key properties of N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide?
N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide has a molecular weight of 350.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 155996043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).