N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide

C28H36ClFN2O2 — CID 10206459

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H36ClFN2O2/c1-19(2)28(27(33)31-18-22-16-23(29)6-9-26(22)34-3)13-10-25(17-28)32-14-11-21(12-15-32)20-4-7-24(30)8-5-20/h4-9,16,19,21,25H,10-15,17-18H2,1-3H3,(H,31,33)
InChIKeyBFGQFTLUPRHRBC-UHFFFAOYSA-N
MW487.06 g/mol
LogP6.18
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 10206459) has the molecular formula C28H36ClFN2O2 and a molecular weight of 487.06 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID10206459
Molecular FormulaC28H36ClFN2O2
Molecular Weight487.06 g/mol
Exact Mass486.24
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H36ClFN2O2/c1-19(2)28(27(33)31-18-22-16-23(29)6-9-26(22)34-3)13-10-25(17-28)32-14-11-21(12-15-32)20-4-7-24(30)8-5-20/h4-9,16,19,21,25H,10-15,17-18H2,1-3H3,(H,31,33)
InChIKeyBFGQFTLUPRHRBC-UHFFFAOYSA-N
XLogP6.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.06
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 56672154
N-(3-chlorobenzyl)-1-(2-methoxybenzyl)-6-oxo-3-piperidinecarboxamide
CID 24791079
N-(2-chloro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903640
N-(5-chloro-2-methoxybenzyl)-N-methyl-4-piperidin-3-ylbenzamide
CID 72850024
5-chloro-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 16812925
5-{3-[4-(3-Chlorobenzyl)-1-piperazinyl]-3-oxopropyl}-5-(2-fluoro-4-methoxybenzyl)-2-pyrrolidinone
CID 45203570
5-[1-(5-Chloro-2-methoxyphenyl)ethylamino]-1-methylpiperidin-2-one
CID 75428264
N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10184807
3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10186344
N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
CID 10205456
3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10275845
N-[(2-ethoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10276729

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide (CID 10206459) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide is COc1ccc(Cl)cc1CNC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is BFGQFTLUPRHRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClFN2O2/c1-19(2)28(27(33)31-18-22-16-23(29)6-9-26(22)34-3)13-10-25(17-28)32-14-11-21(12-15-32)20-4-7-24(30)8-5-20/h4-9,16,19,21,25H,10-15,17-18H2,1-3H3,(H,31,33).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 487.06 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10206459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).