N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide

C23H29N3O3 — CID 56884358

IUPACN-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
SMILESCCCN(C)C(=O)CC1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-3-13-25(2)22(27)16-21-23(28)24-12-14-26(21)17-18-8-7-11-20(15-18)29-19-9-5-4-6-10-19/h4-11,15,21H,3,12-14,16-17H2,1-2H3,(H,24,28)
InChIKeyIBSSNIMBZKRGDZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.04
Rot. Bonds8

About N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide

N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide (PubChem CID 56884358) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
PubChem CID56884358
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
SMILESCCCN(C)C(=O)CC1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-3-13-25(2)22(27)16-21-23(28)24-12-14-26(21)17-18-8-7-11-20(15-18)29-19-9-5-4-6-10-19/h4-11,15,21H,3,12-14,16-17H2,1-2H3,(H,24,28)
InChIKeyIBSSNIMBZKRGDZ-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 45236793
N-methyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 45191747
N-butyl-N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95710109
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propylacetamide
CID 95708335
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenoxyethyl)acetamide
CID 45223185
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 45215120
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45252843
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848549

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide?
The IUPAC name of N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide (CID 56884358) is N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide.
What is the SMILES notation for N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide?
The canonical SMILES for N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide is CCCN(C)C(=O)CC1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide?
The InChIKey is IBSSNIMBZKRGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-13-25(2)22(27)16-21-23(28)24-12-14-26(21)17-18-8-7-11-20(15-18)29-19-9-5-4-6-10-19/h4-11,15,21H,3,12-14,16-17H2,1-2H3,(H,24,28).
What are the key properties of N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide?
N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide has a molecular weight of 395.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide is sourced from PubChem (CID 56884358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).