4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

C20H29N3O3 — CID 47071732

IUPAC4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(OC2CCN(C(=O)NCC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-15-5-6-16(2)18(13-15)26-17-7-11-23(12-8-17)20(25)21-14-19(24)22-9-3-4-10-22/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,21,25)
InChIKeyBTMASBBXCXMANH-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.48
Rot. Bonds4

About 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 47071732) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID47071732
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(OC2CCN(C(=O)NCC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-15-5-6-16(2)18(13-15)26-17-7-11-23(12-8-17)20(25)21-14-19(24)22-9-3-4-10-22/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,21,25)
InChIKeyBTMASBBXCXMANH-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (CID 47071732) is 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is Cc1ccc(C)c(OC2CCN(C(=O)NCC(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is BTMASBBXCXMANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-5-6-16(2)18(13-15)26-17-7-11-23(12-8-17)20(25)21-14-19(24)22-9-3-4-10-22/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,21,25).
What are the key properties of 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 47071732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).