2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide

C20H27N3O3 — CID 108548367

IUPAC2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)CC#N)CC1
InChIInChI=1S/C20H27N3O3/c1-14(2)17-6-4-5-7-18(17)26-15(3)20(25)23-12-9-16(10-13-23)22-19(24)8-11-21/h4-7,14-16H,8-10,12-13H2,1-3H3,(H,22,24)
InChIKeyTXWLVGJUZCWJMA-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.60
Rot. Bonds6

About 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide

2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide (PubChem CID 108548367) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
PubChem CID108548367
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)CC#N)CC1
InChIInChI=1S/C20H27N3O3/c1-14(2)17-6-4-5-7-18(17)26-15(3)20(25)23-12-9-16(10-13-23)22-19(24)8-11-21/h4-7,14-16H,8-10,12-13H2,1-3H3,(H,22,24)
InChIKeyTXWLVGJUZCWJMA-UHFFFAOYSA-N
XLogP2.60
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.60
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
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108550711
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850
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
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
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
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide (CID 108548367) is 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide is CC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is TXWLVGJUZCWJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)17-6-4-5-7-18(17)26-15(3)20(25)23-12-9-16(10-13-23)22-19(24)8-11-21/h4-7,14-16H,8-10,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide?
2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108548367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).