[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate

C28H35FN4O2 — CID 69150882

IUPAC[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)ON2CCCC(c3c[nH]c4ccc(F)cc34)C2)CC1
InChIInChI=1S/C28H35FN4O2/c1-32(2)28(21-8-4-3-5-9-21)14-12-23(13-15-28)31-27(34)35-33-16-6-7-20(19-33)25-18-30-26-11-10-22(29)17-24(25)26/h3-5,8-11,17-18,20,23,30H,6-7,12-16,19H2,1-2H3,(H,31,34)
InChIKeyFJGLYHQRUNLCMG-UHFFFAOYSA-N
MW478.61 g/mol
LogP5.53
Rot. Bonds5

About [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate

[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate (PubChem CID 69150882) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate.

Molecular Properties

Compound Name[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate
PubChem CID69150882
Molecular FormulaC28H35FN4O2
Molecular Weight478.61 g/mol
Exact Mass478.27
IUPAC Name[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)ON2CCCC(c3c[nH]c4ccc(F)cc34)C2)CC1
InChIInChI=1S/C28H35FN4O2/c1-32(2)28(21-8-4-3-5-9-21)14-12-23(13-15-28)31-27(34)35-33-16-6-7-20(19-33)25-18-30-26-11-10-22(29)17-24(25)26/h3-5,8-11,17-18,20,23,30H,6-7,12-16,19H2,1-2H3,(H,31,34)
InChIKeyFJGLYHQRUNLCMG-UHFFFAOYSA-N
XLogP5.53
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 10458949
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11711207
4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide
CID 10327255
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
CID 11669193
N-[4-(dimethylamino)-4-phenylcyclohexyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 10257998
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
1-(5-cyano-3-fluoro-2-pyridinyl)-3-[4-(dimethylamino)-4-phenylcyclohexyl]-1-methylurea
CID 155198534
1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea
CID 86601794
1-fluoro-1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174406878

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate?
The IUPAC name of [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate (CID 69150882) is [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate.
What is the SMILES notation for [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate?
The canonical SMILES for [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate is CN(C)C1(c2ccccc2)CCC(NC(=O)ON2CCCC(c3c[nH]c4ccc(F)cc34)C2)CC1.
What is the InChIKey of [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate?
The InChIKey is FJGLYHQRUNLCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-32(2)28(21-8-4-3-5-9-21)14-12-23(13-15-28)31-27(34)35-33-16-6-7-20(19-33)25-18-30-26-11-10-22(29)17-24(25)26/h3-5,8-11,17-18,20,23,30H,6-7,12-16,19H2,1-2H3,(H,31,34).
What are the key properties of [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate?
[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate has a molecular weight of 478.61 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate is sourced from PubChem (CID 69150882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).