N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

C31H40N2O3 — CID 142457535

IUPACN-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESC=Cc1ccc(C(=O)N2CCC(NC(=O)C(C)(C)CCCOc3cc(C)ccc3C)CC2)cc1C=C
InChIInChI=1S/C31H40N2O3/c1-7-24-12-13-26(21-25(24)8-2)29(34)33-17-14-27(15-18-33)32-30(35)31(5,6)16-9-19-36-28-20-22(3)10-11-23(28)4/h7-8,10-13,20-21,27H,1-2,9,14-19H2,3-6H3,(H,32,35)
InChIKeySDEJRBNBIKFQJY-UHFFFAOYSA-N
MW488.67 g/mol
LogP6.20
Rot. Bonds10

About N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (PubChem CID 142457535) has the molecular formula C31H40N2O3 and a molecular weight of 488.67 g/mol. Its IUPAC name is N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
PubChem CID142457535
Molecular FormulaC31H40N2O3
Molecular Weight488.67 g/mol
Exact Mass488.30
IUPAC NameN-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
SMILESC=Cc1ccc(C(=O)N2CCC(NC(=O)C(C)(C)CCCOc3cc(C)ccc3C)CC2)cc1C=C
InChIInChI=1S/C31H40N2O3/c1-7-24-12-13-26(21-25(24)8-2)29(34)33-17-14-27(15-18-33)32-30(35)31(5,6)16-9-19-36-28-20-22(3)10-11-23(28)4/h7-8,10-13,20-21,27H,1-2,9,14-19H2,3-6H3,(H,32,35)
InChIKeySDEJRBNBIKFQJY-UHFFFAOYSA-N
XLogP6.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 151616456
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)pentanamide;4-fluorobenzaldehyde
CID 142457626
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 54783726
N-[3-(azepane-1-carbonyl)phenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783710
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 142458019
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pentanamide
CID 54783853
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide
CID 142457488
5-(2,5-dimethylphenoxy)-1-[4-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperazin-1-yl]-2,2-dimethylpentan-1-one
CID 54784533
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(pyrrolidine-1-carbothioyl)pentanamide
CID 54783992
N-[4-[(5-chloro-3-pyridinyl)oxy]cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 175209525

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The IUPAC name of N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (CID 142457535) is N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.
What is the SMILES notation for N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The canonical SMILES for N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is C=Cc1ccc(C(=O)N2CCC(NC(=O)C(C)(C)CCCOc3cc(C)ccc3C)CC2)cc1C=C.
What is the InChIKey of N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
The InChIKey is SDEJRBNBIKFQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O3/c1-7-24-12-13-26(21-25(24)8-2)29(34)33-17-14-27(15-18-33)32-30(35)31(5,6)16-9-19-36-28-20-22(3)10-11-23(28)4/h7-8,10-13,20-21,27H,1-2,9,14-19H2,3-6H3,(H,32,35).
What are the key properties of N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?
N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide has a molecular weight of 488.67 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is sourced from PubChem (CID 142457535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).