N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide

C25H29Cl2N3O3 — CID 24887768

IUPACN-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C25H29Cl2N3O3/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,28,31)
InChIKeyDNTAGIKAURJNKZ-UHFFFAOYSA-N
MW490.43 g/mol
LogP5.34
Rot. Bonds7

About N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide

N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide (PubChem CID 24887768) has the molecular formula C25H29Cl2N3O3 and a molecular weight of 490.43 g/mol. Its IUPAC name is N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
PubChem CID24887768
Molecular FormulaC25H29Cl2N3O3
Molecular Weight490.43 g/mol
Exact Mass489.16
IUPAC NameN-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C25H29Cl2N3O3/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,28,31)
InChIKeyDNTAGIKAURJNKZ-UHFFFAOYSA-N
XLogP5.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24887518
CID 24887518
CID 132247307
CID 132247307
CID 11225281
CID 11225281
CID 11282335
CID 11282335
CID 24807244
CID 24807244
CID 24887284
CID 24887284
CID 24887285
CID 24887285
CID 24887289
CID 24887289
CID 24887517
CID 24887517
CID 24887519
CID 24887519
CID 24887525
CID 24887525
CID 24887761
CID 24887761

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The IUPAC name of N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide (CID 24887768) is N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide is CC(=O)Nc1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The InChIKey is DNTAGIKAURJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O3/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,28,31).
What are the key properties of N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide has a molecular weight of 490.43 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 24887768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).