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

C26H34N2O3 — CID 108555440

IUPAC3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H34N2O3/c1-19(2)23-11-7-8-12-24(23)31-20(3)26(30)28-17-15-22(16-18-28)27-25(29)14-13-21-9-5-4-6-10-21/h4-12,19-20,22H,13-18H2,1-3H3,(H,27,29)
InChIKeyRCGQGXGXRMBVBL-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.32
Rot. Bonds8

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

3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide (PubChem CID 108555440) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
PubChem CID108555440
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H34N2O3/c1-19(2)23-11-7-8-12-24(23)31-20(3)26(30)28-17-15-22(16-18-28)27-25(29)14-13-21-9-5-4-6-10-21/h4-12,19-20,22H,13-18H2,1-3H3,(H,27,29)
InChIKeyRCGQGXGXRMBVBL-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92679201
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108550711
1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 39730033
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide (CID 108555440) is 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide is CC(Oc1ccccc1C(C)C)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is RCGQGXGXRMBVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19(2)23-11-7-8-12-24(23)31-20(3)26(30)28-17-15-22(16-18-28)27-25(29)14-13-21-9-5-4-6-10-21/h4-12,19-20,22H,13-18H2,1-3H3,(H,27,29).
What are the key properties of 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 422.57 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108555440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).