methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate

C21H30FNO2 — CID 59049917

IUPACmethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FNO2/c1-15(2)21(20(24)25-3)11-8-19(14-21)23-12-9-17(10-13-23)16-4-6-18(22)7-5-16/h4-7,15,17,19H,8-14H2,1-3H3
InChIKeyZUEVUURCTUGIIJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.37
Rot. Bonds4

About methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate

methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 59049917) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
PubChem CID59049917
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC Namemethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FNO2/c1-15(2)21(20(24)25-3)11-8-19(14-21)23-12-9-17(10-13-23)16-4-6-18(22)7-5-16/h4-7,15,17,19H,8-14H2,1-3H3
InChIKeyZUEVUURCTUGIIJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate 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-[(3,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10139328
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10206459
(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone
CID 24984674
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 142115956
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide
CID 59888765
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
CID 145191823
(2S)-5-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxane-2-carboxamide
CID 131992284
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
CID 145191749
N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
CID 10274899
cis-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(2-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 10144709
[(1R)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]cyclobutyl]-[3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone
CID 162548986

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate (CID 59049917) is methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate is COC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is ZUEVUURCTUGIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c1-15(2)21(20(24)25-3)11-8-19(14-21)23-12-9-17(10-13-23)16-4-6-18(22)7-5-16/h4-7,15,17,19H,8-14H2,1-3H3.
What are the key properties of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 347.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 59049917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).