N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C23H33N3O4 — CID 24790815

IUPACN-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)C2CCC(=O)N(CCCN3CCCC3=O)C2)cc1
InChIInChI=1S/C23H33N3O4/c1-23(2,18-8-10-19(30-3)11-9-18)24-22(29)17-7-12-21(28)26(16-17)15-5-14-25-13-4-6-20(25)27/h8-11,17H,4-7,12-16H2,1-3H3,(H,24,29)
InChIKeyAIMLKEIQABINJS-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.30
Rot. Bonds8

About N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 24790815) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID24790815
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)C2CCC(=O)N(CCCN3CCCC3=O)C2)cc1
InChIInChI=1S/C23H33N3O4/c1-23(2,18-8-10-19(30-3)11-9-18)24-22(29)17-7-12-21(28)26(16-17)15-5-14-25-13-4-6-20(25)27/h8-11,17H,4-7,12-16H2,1-3H3,(H,24,29)
InChIKeyAIMLKEIQABINJS-UHFFFAOYSA-N
XLogP2.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 24790815) is N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is COc1ccc(C(C)(C)NC(=O)C2CCC(=O)N(CCCN3CCCC3=O)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is AIMLKEIQABINJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-23(2,18-8-10-19(30-3)11-9-18)24-22(29)17-7-12-21(28)26(16-17)15-5-14-25-13-4-6-20(25)27/h8-11,17H,4-7,12-16H2,1-3H3,(H,24,29).
What are the key properties of N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)propan-2-yl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).