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

C26H32ClFN2O2 — CID 59888765

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C1(C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H32ClFN2O2/c1-26(25(31)29-17-20-15-21(27)5-8-24(20)32-2)12-9-23(16-26)30-13-10-19(11-14-30)18-3-6-22(28)7-4-18/h3-8,15,19,23H,9-14,16-17H2,1-2H3,(H,29,31)
InChIKeyFATZWOLJTKUCEN-UHFFFAOYSA-N
MW459.01 g/mol
LogP5.54
Rot. Bonds6

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

N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide (PubChem CID 59888765) has the molecular formula C26H32ClFN2O2 and a molecular weight of 459.01 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide
PubChem CID59888765
Molecular FormulaC26H32ClFN2O2
Molecular Weight459.01 g/mol
Exact Mass458.21
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C1(C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H32ClFN2O2/c1-26(25(31)29-17-20-15-21(27)5-8-24(20)32-2)12-9-23(16-26)30-13-10-19(11-14-30)18-3-6-22(28)7-4-18/h3-8,15,19,23H,9-14,16-17H2,1-2H3,(H,29,31)
InChIKeyFATZWOLJTKUCEN-UHFFFAOYSA-N
XLogP5.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.01
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10206459
N-[(3,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10139328
methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 59049917
(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087898
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
1-(aminomethyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]cyclopentane-1-carboxamide
CID 59049919
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
N-[(5-chloro-3-pyridinyl)methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]-2-propan-2-yloxane-2-carboxamide
CID 166797290
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
trans-(1S,2S)-2-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131515

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide (CID 59888765) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide is COc1ccc(Cl)cc1CNC(=O)C1(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-methylcyclopentane-1-carboxamide?
The InChIKey is FATZWOLJTKUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClFN2O2/c1-26(25(31)29-17-20-15-21(27)5-8-24(20)32-2)12-9-23(16-26)30-13-10-19(11-14-30)18-3-6-22(28)7-4-18/h3-8,15,19,23H,9-14,16-17H2,1-2H3,(H,29,31).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 459.01 g/mol, XLogP of 5.54, 6 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 59888765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).