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

C26H40N2O3 — CID 108552919

IUPACN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C26H40N2O3/c1-19(2)23-11-7-8-12-24(23)31-20(3)26(30)27-22-15-17-28(18-16-22)25(29)14-13-21-9-5-4-6-10-21/h7-8,11-12,19-22H,4-6,9-10,13-18H2,1-3H3,(H,27,30)
InChIKeyKAQMUYPFTJLHMB-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.05
Rot. Bonds8

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

N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 108552919) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID108552919
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC NameN-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C26H40N2O3/c1-19(2)23-11-7-8-12-24(23)31-20(3)26(30)27-22-15-17-28(18-16-22)25(29)14-13-21-9-5-4-6-10-21/h7-8,11-12,19-22H,4-6,9-10,13-18H2,1-3H3,(H,27,30)
InChIKeyKAQMUYPFTJLHMB-UHFFFAOYSA-N
XLogP5.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850
2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108558492
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
CID 108566205
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554734
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108555743
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503517

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide (CID 108552919) is N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide is CC(Oc1ccccc1C(C)C)C(=O)NC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is KAQMUYPFTJLHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-19(2)23-11-7-8-12-24(23)31-20(3)26(30)27-22-15-17-28(18-16-22)25(29)14-13-21-9-5-4-6-10-21/h7-8,11-12,19-22H,4-6,9-10,13-18H2,1-3H3,(H,27,30).
What are the key properties of N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 428.62 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108552919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).