N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide

C22H34N2O2 — CID 56569537

IUPACN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(C)=CCN1CCC(NC(=O)C(C)Oc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C22H34N2O2/c1-16(2)9-12-24-13-10-20(11-14-24)23-22(25)18(5)26-21-8-6-7-19(15-21)17(3)4/h6-9,15,17-18,20H,10-14H2,1-5H3,(H,23,25)
InChIKeyZBZKDQNQTIBPHG-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.12
Rot. Bonds7

About N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 56569537) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID56569537
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(C)=CCN1CCC(NC(=O)C(C)Oc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C22H34N2O2/c1-16(2)9-12-24-13-10-20(11-14-24)23-22(25)18(5)26-21-8-6-7-19(15-21)17(3)4/h6-9,15,17-18,20H,10-14H2,1-5H3,(H,23,25)
InChIKeyZBZKDQNQTIBPHG-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
2-methyl-N-[1-[2-(3-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 55796186
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide (CID 56569537) is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide is CC(C)=CCN1CCC(NC(=O)C(C)Oc2cccc(C(C)C)c2)CC1.
What is the InChIKey of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is ZBZKDQNQTIBPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16(2)9-12-24-13-10-20(11-14-24)23-22(25)18(5)26-21-8-6-7-19(15-21)17(3)4/h6-9,15,17-18,20H,10-14H2,1-5H3,(H,23,25).
What are the key properties of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide?
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 358.53 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 56569537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).