[1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate

C24H35ClN2O3 — CID 90756258

IUPAC[1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(C(=O)C(c2cccc(Cl)c2)C2CCCCC2)CC1
InChIInChI=1S/C24H35ClN2O3/c1-24(2,3)26-23(29)30-20-12-14-27(15-13-20)22(28)21(17-8-5-4-6-9-17)18-10-7-11-19(25)16-18/h7,10-11,16-17,20-21H,4-6,8-9,12-15H2,1-3H3,(H,26,29)
InChIKeyOLEVLZJPXHEADY-UHFFFAOYSA-N
MW435.01 g/mol
LogP5.52
Rot. Bonds4

About [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate

[1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 90756258) has the molecular formula C24H35ClN2O3 and a molecular weight of 435.01 g/mol. Its IUPAC name is [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate
PubChem CID90756258
Molecular FormulaC24H35ClN2O3
Molecular Weight435.01 g/mol
Exact Mass434.23
IUPAC Name[1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(C(=O)C(c2cccc(Cl)c2)C2CCCCC2)CC1
InChIInChI=1S/C24H35ClN2O3/c1-24(2,3)26-23(29)30-20-12-14-27(15-13-20)22(28)21(17-8-5-4-6-9-17)18-10-7-11-19(25)16-18/h7,10-11,16-17,20-21H,4-6,8-9,12-15H2,1-3H3,(H,26,29)
InChIKeyOLEVLZJPXHEADY-UHFFFAOYSA-N
XLogP5.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.01
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate with MolForge

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Related Compounds

[1-[2-(3-chlorophenyl)-2-(2-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)acetyl]piperidin-4-yl] N-tert-butylcarbamate
CID 90992380
4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
CID 174510521
[1-[2-(1-hydroxycyclohexyl)-2-(3-phenoxyphenyl)acetyl]piperidin-4-yl] N-tert-butylcarbamate
CID 91114862
[1-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl] N-tert-butylcarbamate
CID 91309542
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174721533
methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
CID 23928172
[2-(3-chlorophenyl)-2-cyclopentylacetyl] piperazine-1-carboxylate
CID 141128599
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
tert-butyl N-[(3S)-1-[(2S)-2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 86599053
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46027501

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate (CID 90756258) is [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(C(=O)C(c2cccc(Cl)c2)C2CCCCC2)CC1.
What is the InChIKey of [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is OLEVLZJPXHEADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN2O3/c1-24(2,3)26-23(29)30-20-12-14-27(15-13-20)22(28)21(17-8-5-4-6-9-17)18-10-7-11-19(25)16-18/h7,10-11,16-17,20-21H,4-6,8-9,12-15H2,1-3H3,(H,26,29).
What are the key properties of [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate?
[1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 435.01 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 90756258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).