N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide

C29H35FN2O2 — CID 89032381

IUPACN-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide
SMILESC[C@H]1CN(C2CCC(CO)(c3ccc(C(=O)NCCF)cc3)C2)CCC12C=Cc1ccccc12
InChIInChI=1S/C29H35FN2O2/c1-21-19-32(17-14-29(21)13-10-22-4-2-3-5-26(22)29)25-11-12-28(18-25,20-33)24-8-6-23(7-9-24)27(34)31-16-15-30/h2-10,13,21,25,33H,11-12,14-20H2,1H3,(H,31,34)/t21-,25?,28?,29?/m0/s1
InChIKeyRVPMXWBTSUFCLI-CDKMNYRSSA-N
MW462.61 g/mol
LogP4.48
Rot. Bonds6

About N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide

N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide (PubChem CID 89032381) has the molecular formula C29H35FN2O2 and a molecular weight of 462.61 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide
PubChem CID89032381
Molecular FormulaC29H35FN2O2
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC NameN-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide
SMILESC[C@H]1CN(C2CCC(CO)(c3ccc(C(=O)NCCF)cc3)C2)CCC12C=Cc1ccccc12
InChIInChI=1S/C29H35FN2O2/c1-21-19-32(17-14-29(21)13-10-22-4-2-3-5-26(22)29)25-11-12-28(18-25,20-33)24-8-6-23(7-9-24)27(34)31-16-15-30/h2-10,13,21,25,33H,11-12,14-20H2,1H3,(H,31,34)/t21-,25?,28?,29?/m0/s1
InChIKeyRVPMXWBTSUFCLI-CDKMNYRSSA-N
XLogP4.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide;ethane
CID 143159425
N-(cyclohexylmethyl)-3-methyl-4-[3-(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)cyclopentyl]benzamide;ethane
CID 143159408
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclobutylmethyl)-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 10145483
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-(methylsulfanylmethyl)cyclopentane-1-carboxamide
CID 10145294
1-cyclopropyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 59049893
2-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]cyclopropane-1-carboxylic acid
CID 59050040
methyl 3-methyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzoate
CID 59487168
(1R,3'R)-1'-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-propan-2-ylcyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
CID 59050019
3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1,2,4-triazol-4-yl)cyclopropyl]cyclopentane-1-carboxamide
CID 162548989
N-benzyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide;N-tert-butyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide;N-cyclohexyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide;N-ethyl-4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(2-phenylethyl)benzamide;[4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]phenyl]-piperidin-1-ylmethanone;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-phenyl-N-prop-2-enylbenzamide;4-[3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]-N-(3-phenylpropyl)benzamide
CID 158433210
ethane;N-ethyl-4-[3-[(3'R)-3'-methylspiro[4H-azulene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide
CID 143159434
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-4-methylbenzamide
CID 110147321

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide?
The IUPAC name of N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide (CID 89032381) is N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide.
What is the SMILES notation for N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide?
The canonical SMILES for N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide is C[C@H]1CN(C2CCC(CO)(c3ccc(C(=O)NCCF)cc3)C2)CCC12C=Cc1ccccc12.
What is the InChIKey of N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide?
The InChIKey is RVPMXWBTSUFCLI-CDKMNYRSSA-N. The full InChI is InChI=1S/C29H35FN2O2/c1-21-19-32(17-14-29(21)13-10-22-4-2-3-5-26(22)29)25-11-12-28(18-25,20-33)24-8-6-23(7-9-24)27(34)31-16-15-30/h2-10,13,21,25,33H,11-12,14-20H2,1H3,(H,31,34)/t21-,25?,28?,29?/m0/s1.
What are the key properties of N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide?
N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide has a molecular weight of 462.61 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-[1-(hydroxymethyl)-3-[(3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentyl]benzamide is sourced from PubChem (CID 89032381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).