prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate

C22H32N2O4 — CID 108564991

IUPACprop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)COc2ccc(C)cc2C(C)(C)C)CC1
InChIInChI=1S/C22H32N2O4/c1-6-13-27-21(26)23-17-9-11-24(12-10-17)20(25)15-28-19-8-7-16(2)14-18(19)22(3,4)5/h6-8,14,17H,1,9-13,15H2,2-5H3,(H,23,26)
InChIKeyWUOJJPDNVIINBL-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.57
Rot. Bonds6

About prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate

prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate (PubChem CID 108564991) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
PubChem CID108564991
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Nameprop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)COc2ccc(C)cc2C(C)(C)C)CC1
InChIInChI=1S/C22H32N2O4/c1-6-13-27-21(26)23-17-9-11-24(12-10-17)20(25)15-28-19-8-7-16(2)14-18(19)22(3,4)5/h6-8,14,17H,1,9-13,15H2,2-5H3,(H,23,26)
InChIKeyWUOJJPDNVIINBL-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564984
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108564979
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549411
prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564964
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558293
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550337
2-(2,4-ditert-butylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119560992
prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566504
benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564276
1-[4-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546462
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 108552688
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]acetamide
CID 108552716

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate (CID 108564991) is prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)COc2ccc(C)cc2C(C)(C)C)CC1.
What is the InChIKey of prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate?
The InChIKey is WUOJJPDNVIINBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-6-13-27-21(26)23-17-9-11-24(12-10-17)20(25)15-28-19-8-7-16(2)14-18(19)22(3,4)5/h6-8,14,17H,1,9-13,15H2,2-5H3,(H,23,26).
What are the key properties of prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate?
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate has a molecular weight of 388.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108564991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).