4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide

C24H35N3O4 — CID 108553741

IUPAC4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C24H35N3O4/c1-17(2)27-16-19(15-23(27)29)24(30)26-12-10-20(11-13-26)25-22(28)9-6-14-31-21-8-5-4-7-18(21)3/h4-5,7-8,17,19-20H,6,9-16H2,1-3H3,(H,25,28)
InChIKeyVPIRVEGVMVELCF-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.52
Rot. Bonds8

About 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide

4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide (PubChem CID 108553741) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
PubChem CID108553741
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
SMILESCc1ccccc1OCCCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C24H35N3O4/c1-17(2)27-16-19(15-23(27)29)24(30)26-12-10-20(11-13-26)25-22(28)9-6-14-31-21-8-5-4-7-18(21)3/h4-5,7-8,17,19-20H,6,9-16H2,1-3H3,(H,25,28)
InChIKeyVPIRVEGVMVELCF-UHFFFAOYSA-N
XLogP2.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108564916
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
4-chloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]butanamide
CID 108564809
N,N-diethyl-4-[4-(2-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561260
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
4-(2-methylphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108553773
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553431
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide (CID 108553741) is 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide is Cc1ccccc1OCCCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is VPIRVEGVMVELCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-17(2)27-16-19(15-23(27)29)24(30)26-12-10-20(11-13-26)25-22(28)9-6-14-31-21-8-5-4-7-18(21)3/h4-5,7-8,17,19-20H,6,9-16H2,1-3H3,(H,25,28).
What are the key properties of 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide?
4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 429.56 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108553741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).