N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C28H34N2O4 — CID 112804072

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)CC2)cc1
InChIInChI=1S/C28H34N2O4/c1-2-34-25-11-9-21(10-12-25)28(33)30-17-15-24(16-18-30)29-27(32)14-13-26(31)23-8-7-20-5-3-4-6-22(20)19-23/h7-12,19,24H,2-6,13-18H2,1H3,(H,29,32)
InChIKeyRUXXGRHMAJPJFX-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.35
Rot. Bonds8

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 112804072) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID112804072
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)CC2)cc1
InChIInChI=1S/C28H34N2O4/c1-2-34-25-11-9-21(10-12-25)28(33)30-17-15-24(16-18-30)29-27(32)14-13-26(31)23-8-7-20-5-3-4-6-22(20)19-23/h7-12,19,24H,2-6,13-18H2,1H3,(H,29,32)
InChIKeyRUXXGRHMAJPJFX-UHFFFAOYSA-N
XLogP4.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 38022224
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-oxobutanamide
CID 55710907
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 46510369
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 94810319
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 38321798
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 112804072) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is RUXXGRHMAJPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-2-34-25-11-9-21(10-12-25)28(33)30-17-15-24(16-18-30)29-27(32)14-13-26(31)23-8-7-20-5-3-4-6-22(20)19-23/h7-12,19,24H,2-6,13-18H2,1H3,(H,29,32).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 462.59 g/mol, XLogP of 4.35, 8 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-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 112804072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).