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

C20H27N5O2 — CID 50959250

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCc1nccn1-c1ccccc1CNC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C20H27N5O2/c1-14(2)24-10-9-22-20(27)18(24)12-19(26)23-13-16-6-4-5-7-17(16)25-11-8-21-15(25)3/h4-8,11,14,18H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyZJTITNFWMICZEB-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.40
Rot. Bonds6

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

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 50959250) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID50959250
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCc1nccn1-c1ccccc1CNC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C20H27N5O2/c1-14(2)24-10-9-22-20(27)18(24)12-19(26)23-13-16-6-4-5-7-17(16)25-11-8-21-15(25)3/h4-8,11,14,18H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyZJTITNFWMICZEB-UHFFFAOYSA-N
XLogP1.40
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95717335
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 50973484
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 56896917
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95132204
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95552184
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 56898752
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 50959250) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is Cc1nccn1-c1ccccc1CNC(=O)CC1C(=O)NCCN1C(C)C.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is ZJTITNFWMICZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)24-10-9-22-20(27)18(24)12-19(26)23-13-16-6-4-5-7-17(16)25-11-8-21-15(25)3/h4-8,11,14,18H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 50959250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).