N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide

C20H29N3O3 — CID 18524608

IUPACN-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16(24)21-20(17-5-7-18(26-2)8-6-17)9-13-22(14-10-20)15-19(25)23-11-3-4-12-23/h5-8H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyICWHSSGGFLCIDZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.74
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide

N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide (PubChem CID 18524608) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide
PubChem CID18524608
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-16(24)21-20(17-5-7-18(26-2)8-6-17)9-13-22(14-10-20)15-19(25)23-11-3-4-12-23/h5-8H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyICWHSSGGFLCIDZ-UHFFFAOYSA-N
XLogP1.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide (CID 18524608) is N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide is COc1ccc(C2(NC(C)=O)CCN(CC(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide?
The InChIKey is ICWHSSGGFLCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16(24)21-20(17-5-7-18(26-2)8-6-17)9-13-22(14-10-20)15-19(25)23-11-3-4-12-23/h5-8H,3-4,9-15H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide?
N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 18524608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).