N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide

C30H32N2O4 — CID 112804103

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C30H32N2O4/c1-2-36-27-14-12-25(13-15-27)30(35)32-20-18-26(19-21-32)31-29(34)17-16-28(33)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-15,26H,2,16-21H2,1H3,(H,31,34)
InChIKeyQJXLFCPTBWSBCW-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.14
Rot. Bonds9

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 112804103) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID112804103
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C30H32N2O4/c1-2-36-27-14-12-25(13-15-27)30(35)32-20-18-26(19-21-32)31-29(34)17-16-28(33)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-15,26H,2,16-21H2,1H3,(H,31,34)
InChIKeyQJXLFCPTBWSBCW-UHFFFAOYSA-N
XLogP5.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 38022224
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 112804072
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 94810319
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide (CID 112804103) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is QJXLFCPTBWSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-2-36-27-14-12-25(13-15-27)30(35)32-20-18-26(19-21-32)31-29(34)17-16-28(33)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-15,26H,2,16-21H2,1H3,(H,31,34).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 484.60 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 112804103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).