N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C22H34N4O2 — CID 56905914

IUPACN-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)N(C)Cc1ccccc1CN1CCCC1
InChIInChI=1S/C22H34N4O2/c1-17(2)26-13-10-23-22(28)20(26)14-21(27)24(3)15-18-8-4-5-9-19(18)16-25-11-6-7-12-25/h4-5,8-9,17,20H,6-7,10-16H2,1-3H3,(H,23,28)
InChIKeyRFFDFMRABSBTLS-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.84
Rot. Bonds7

About N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 56905914) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID56905914
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)N(C)Cc1ccccc1CN1CCCC1
InChIInChI=1S/C22H34N4O2/c1-17(2)26-13-10-23-22(28)20(26)14-21(27)24(3)15-18-8-4-5-9-19(18)16-25-11-6-7-12-25/h4-5,8-9,17,20H,6-7,10-16H2,1-3H3,(H,23,28)
InChIKeyRFFDFMRABSBTLS-UHFFFAOYSA-N
XLogP1.84
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
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N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
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N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
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2-[1-[1-(2-chlorophenyl)ethyl]-3-oxopiperazin-2-yl]acetic acid
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methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
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2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 56905914) is N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is CC(C)N1CCNC(=O)C1CC(=O)N(C)Cc1ccccc1CN1CCCC1.
What is the InChIKey of N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is RFFDFMRABSBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17(2)26-13-10-23-22(28)20(26)14-21(27)24(3)15-18-8-4-5-9-19(18)16-25-11-6-7-12-25/h4-5,8-9,17,20H,6-7,10-16H2,1-3H3,(H,23,28).
What are the key properties of N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 1.84, 7 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-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 56905914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).