N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide

C28H35F3N2O2 — CID 10184807

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2ccccc2OC(F)F)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H35F3N2O2/c1-19(2)28(26(34)32-18-22-5-3-4-6-25(22)35-27(30)31)14-11-24(17-28)33-15-12-21(13-16-33)20-7-9-23(29)10-8-20/h3-10,19,21,24,27H,11-18H2,1-2H3,(H,32,34)
InChIKeySFQGNIGBFFBHDR-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.12
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 10184807) has the molecular formula C28H35F3N2O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID10184807
Molecular FormulaC28H35F3N2O2
Molecular Weight488.59 g/mol
Exact Mass488.27
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2ccccc2OC(F)F)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C28H35F3N2O2/c1-19(2)28(26(34)32-18-22-5-3-4-6-25(22)35-27(30)31)14-11-24(17-28)33-15-12-21(13-16-33)20-7-9-23(29)10-8-20/h3-10,19,21,24,27H,11-18H2,1-2H3,(H,32,34)
InChIKeySFQGNIGBFFBHDR-UHFFFAOYSA-N
XLogP6.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[cyano-(2-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 10051341
8-[2-(4-Fluoro-phenyl)-cyclohexyl]-4-(4-methoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 21082577
N-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-2-(2-trifluoromethyl-phenyl)-acetamide
CID 21994308
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[2-(4-cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-acetamide
CID 21994328
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[2-(2-methoxy-phenyl)-2-piperidin-1-yl-ethyl]-acetamide
CID 21994363
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
CID 44358467
6-(2-Methoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69082267
6-(2-Fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745
6-[(2-Methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one
CID 11763757
N-(2-fluorobenzyl)-3-{1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanamide
CID 16188753
N-(3,4-difluorobenzyl)-3-{1-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanamide
CID 16191730
N-(3,4-difluorobenzyl)-3-{1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanamide
CID 16192125

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide (CID 10184807) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide is CC(C)C1(C(=O)NCc2ccccc2OC(F)F)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is SFQGNIGBFFBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N2O2/c1-19(2)28(26(34)32-18-22-5-3-4-6-25(22)35-27(30)31)14-11-24(17-28)33-15-12-21(13-16-33)20-7-9-23(29)10-8-20/h3-10,19,21,24,27H,11-18H2,1-2H3,(H,32,34).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10184807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).