2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate

C22H34N2O4 — CID 108565085

IUPAC2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(C(=O)C(C)Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-15(2)14-27-22(26)23-18-10-12-24(13-11-18)21(25)17(5)28-20-9-7-6-8-19(20)16(3)4/h6-9,15-18H,10-14H2,1-5H3,(H,23,26)
InChIKeyOZZIMAKIGVDUHV-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.95
Rot. Bonds7

About 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate

2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate (PubChem CID 108565085) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
PubChem CID108565085
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(C(=O)C(C)Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C22H34N2O4/c1-15(2)14-27-22(26)23-18-10-12-24(13-11-18)21(25)17(5)28-20-9-7-6-8-19(20)16(3)4/h6-9,15-18H,10-14H2,1-5H3,(H,23,26)
InChIKeyOZZIMAKIGVDUHV-UHFFFAOYSA-N
XLogP3.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108558492
2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108548367
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 39730033
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108550711
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
CID 108566230
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92679201

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate (CID 108565085) is 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate is CC(C)COC(=O)NC1CCN(C(=O)C(C)Oc2ccccc2C(C)C)CC1.
What is the InChIKey of 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is OZZIMAKIGVDUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-15(2)14-27-22(26)23-18-10-12-24(13-11-18)21(25)17(5)28-20-9-7-6-8-19(20)16(3)4/h6-9,15-18H,10-14H2,1-5H3,(H,23,26).
What are the key properties of 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate?
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 390.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108565085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).