2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide

C21H32N2O3 — CID 108558492

IUPAC2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C(C)Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C21H32N2O3/c1-14(2)18-8-6-7-9-19(18)26-16(5)21(25)23-12-10-17(11-13-23)22-20(24)15(3)4/h6-9,14-17H,10-13H2,1-5H3,(H,22,24)
InChIKeyDGDYEJQKJCQREB-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide (PubChem CID 108558492) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
PubChem CID108558492
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C(C)Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C21H32N2O3/c1-14(2)18-8-6-7-9-19(18)26-16(5)21(25)23-12-10-17(11-13-23)22-20(24)15(3)4/h6-9,14-17H,10-13H2,1-5H3,(H,22,24)
InChIKeyDGDYEJQKJCQREB-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108548367
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108550711
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
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
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
1-[4-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119562344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide (CID 108558492) is 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(C(=O)C(C)Oc2ccccc2C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is DGDYEJQKJCQREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-14(2)18-8-6-7-9-19(18)26-16(5)21(25)23-12-10-17(11-13-23)22-20(24)15(3)4/h6-9,14-17H,10-13H2,1-5H3,(H,22,24).
What are the key properties of 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).