N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide

C19H29N3O2 — CID 56888360

IUPACN-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-15(2)21(3)18(23)14-17-19(24)20-11-13-22(17)12-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17H,7,10-14H2,1-3H3,(H,20,24)
InChIKeyKELLWRCLKWOPHV-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.68
Rot. Bonds7

About N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide

N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 56888360) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
PubChem CID56888360
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-15(2)21(3)18(23)14-17-19(24)20-11-13-22(17)12-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17H,7,10-14H2,1-3H3,(H,20,24)
InChIKeyKELLWRCLKWOPHV-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
CID 45237645
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725128
N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95707080

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide (CID 56888360) is N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CC1C(=O)NCCN1CCCc1ccccc1.
What is the InChIKey of N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is KELLWRCLKWOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(2)21(3)18(23)14-17-19(24)20-11-13-22(17)12-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17H,7,10-14H2,1-3H3,(H,20,24).
What are the key properties of N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide?
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 331.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56888360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).