N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide

C32H44N2O3 — CID 3653521

IUPACN-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
SMILESCCCCCCCC(=O)N(CC(C)=Cc1ccccc1)CC1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C32H44N2O3/c1-4-5-6-7-11-17-31(35)34(24-26(2)22-27-13-9-8-10-14-27)25-28-18-20-33(21-19-28)32(36)29-15-12-16-30(23-29)37-3/h8-10,12-16,22-23,28H,4-7,11,17-21,24-25H2,1-3H3
InChIKeyWXBZCJJJHLDYES-UHFFFAOYSA-N
MW504.72 g/mol
LogP6.84
Rot. Bonds13

About N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide

N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide (PubChem CID 3653521) has the molecular formula C32H44N2O3 and a molecular weight of 504.72 g/mol. Its IUPAC name is N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide.

Molecular Properties

Compound NameN-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
PubChem CID3653521
Molecular FormulaC32H44N2O3
Molecular Weight504.72 g/mol
Exact Mass504.34
IUPAC NameN-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
SMILESCCCCCCCC(=O)N(CC(C)=Cc1ccccc1)CC1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C32H44N2O3/c1-4-5-6-7-11-17-31(35)34(24-26(2)22-27-13-9-8-10-14-27)25-28-18-20-33(21-19-28)32(36)29-15-12-16-30(23-29)37-3/h8-10,12-16,22-23,28H,4-7,11,17-21,24-25H2,1-3H3
InChIKeyWXBZCJJJHLDYES-UHFFFAOYSA-N
XLogP6.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 56.84
H-Bond Donors ≤ 50
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-heptanoylpiperidin-4-yl)methyl]-3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42705612
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
CID 4694083
N-[[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]methyl]-3-cyclopentyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
CID 42705608
3-methoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10000728
3-benzyl-1-[[1-(4-fluorobenzoyl)piperidin-4-yl]methyl]-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42706172
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
The IUPAC name of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide (CID 3653521) is N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide.
What is the SMILES notation for N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
The canonical SMILES for N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide is CCCCCCCC(=O)N(CC(C)=Cc1ccccc1)CC1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
The InChIKey is WXBZCJJJHLDYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O3/c1-4-5-6-7-11-17-31(35)34(24-26(2)22-27-13-9-8-10-14-27)25-28-18-20-33(21-19-28)32(36)29-15-12-16-30(23-29)37-3/h8-10,12-16,22-23,28H,4-7,11,17-21,24-25H2,1-3H3.
What are the key properties of N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide has a molecular weight of 504.72 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide is sourced from PubChem (CID 3653521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).