N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide

C25H37N3O4 — CID 108553431

IUPACN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)cc1
InChIInChI=1S/C25H37N3O4/c1-18-7-9-21(10-8-18)32-15-5-6-22(29)26-20-11-13-27(14-12-20)24(31)19-16-23(30)28(17-19)25(2,3)4/h7-10,19-20H,5-6,11-17H2,1-4H3,(H,26,29)
InChIKeyWREJTYWYLITQPF-UHFFFAOYSA-N
MW443.59 g/mol
LogP2.91
Rot. Bonds7

About N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide

N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide (PubChem CID 108553431) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
PubChem CID108553431
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC NameN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)cc1
InChIInChI=1S/C25H37N3O4/c1-18-7-9-21(10-8-18)32-15-5-6-22(29)26-20-11-13-27(14-12-20)24(31)19-16-23(30)28(17-19)25(2,3)4/h7-10,19-20H,5-6,11-17H2,1-4H3,(H,26,29)
InChIKeyWREJTYWYLITQPF-UHFFFAOYSA-N
XLogP2.91
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 52.91
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

1-tert-butyl-4-[4-[4-(4-methylphenoxy)butanoyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546241
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
CID 108558047
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
3-[1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-N-cyclopropylpropanamide
CID 42508719
tert-butyl N-[2-[4-[4-(4-methylphenoxy)butanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108553401
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557732
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
4-(2-methylphenoxy)-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]butanamide
CID 108553741
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide (CID 108553431) is N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NC2CCN(C(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)cc1.
What is the InChIKey of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
The InChIKey is WREJTYWYLITQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-18-7-9-21(10-8-18)32-15-5-6-22(29)26-20-11-13-27(14-12-20)24(31)19-16-23(30)28(17-19)25(2,3)4/h7-10,19-20H,5-6,11-17H2,1-4H3,(H,26,29).
What are the key properties of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide?
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide has a molecular weight of 443.59 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 108553431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).