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

C28H36F2N2O2 — CID 10205456

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cccc(OC(F)F)c2)CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C28H36F2N2O2/c1-20(2)28(26(33)31-19-21-7-6-10-25(17-21)34-27(29)30)14-11-24(18-28)32-15-12-23(13-16-32)22-8-4-3-5-9-22/h3-10,17,20,23-24,27H,11-16,18-19H2,1-2H3,(H,31,33)
InChIKeyDIQRPYBAXUKDST-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.98
Rot. Bonds8

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

N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 10205456) has the molecular formula C28H36F2N2O2 and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID10205456
Molecular FormulaC28H36F2N2O2
Molecular Weight470.60 g/mol
Exact Mass470.27
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cccc(OC(F)F)c2)CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C28H36F2N2O2/c1-20(2)28(26(33)31-19-21-7-6-10-25(17-21)34-27(29)30)14-11-24(18-28)32-15-12-23(13-16-32)22-8-4-3-5-9-22/h3-10,17,20,23-24,27H,11-16,18-19H2,1-2H3,(H,31,33)
InChIKeyDIQRPYBAXUKDST-UHFFFAOYSA-N
XLogP5.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4S)-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidin-1-yl]ethanone;hydrochloride
CID 57400914
N-(3-methoxybenzyl)-N'-(4-phenylbutan-2-yl)pentanediamide
CID 5145094
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methoxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11798126
N-[(3aS,4S,6aR)-2-[[3-(trifluoromethoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590904
2-Cyclopentyl-2-hydroxy-N-[1-(3-methoxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11796509
N-(3-methoxybenzyl)-3-{1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanamide
CID 16188908
3-{1-[4-(difluoromethoxy)benzyl]-3-piperidinyl}-N-(3-methoxybenzyl)propanamide
CID 16192195
N-{[1-(4-fluoro-3-methoxybenzyl)piperidin-3-yl]methyl}-2-(4-methoxyphenyl)acetamide
CID 23723676
1-(3-methoxybenzyl)-N-[3-(4-methylphenyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24819537
N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(4-(3-methoxyphenyl)piperidin-1-yl)cyclopentanecarboxamide
CID 44447782
N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-(3-hydroxyphenyl)piperidin-1-yl)-1-isopropylcyclopentanecarboxamide
CID 44447783
(1-((1R,4R)-4-((S)-2,2-difluoro-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4-phenylpiperidin-4-yl)(pyrrolidin-1-yl)methanone
CID 44517723

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide (CID 10205456) is N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide is CC(C)C1(C(=O)NCc2cccc(OC(F)F)c2)CCC(N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is DIQRPYBAXUKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2N2O2/c1-20(2)28(26(33)31-19-21-7-6-10-25(17-21)34-27(29)30)14-11-24(18-28)32-15-12-23(13-16-32)22-8-4-3-5-9-22/h3-10,17,20,23-24,27H,11-16,18-19H2,1-2H3,(H,31,33).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10205456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).