N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide

C24H35N3O5 — CID 46019487

IUPACN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C24H35N3O5/c1-31-16-13-25-23(29)21(26-22(28)18-7-9-20(32-2)10-8-18)17-11-14-27(15-12-17)24(30)19-5-3-4-6-19/h7-10,17,19,21H,3-6,11-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFFQHIARYQBKGAF-UHFFFAOYSA-N
MW445.56 g/mol
LogP1.99
Rot. Bonds9

About N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide

N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 46019487) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID46019487
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC NameN-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C24H35N3O5/c1-31-16-13-25-23(29)21(26-22(28)18-7-9-20(32-2)10-8-18)17-11-14-27(15-12-17)24(30)19-5-3-4-6-19/h7-10,17,19,21H,3-6,11-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFFQHIARYQBKGAF-UHFFFAOYSA-N
XLogP1.99
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199318
N-[1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46020733
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196589
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019486
4-[(1R)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200107
N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199700
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576
4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020666
N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199723
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197604

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide (CID 46019487) is N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide is COCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is FFQHIARYQBKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-31-16-13-25-23(29)21(26-22(28)18-7-9-20(32-2)10-8-18)17-11-14-27(15-12-17)24(30)19-5-3-4-6-19/h7-10,17,19,21H,3-6,11-16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide?
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 445.56 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 46019487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).