N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide

C20H28N4O2 — CID 45169917

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCc1cc2cc(CNC(=O)CC3C(=O)NCCN3CC(C)C)ccc2[nH]1
InChIInChI=1S/C20H28N4O2/c1-13(2)12-24-7-6-21-20(26)18(24)10-19(25)22-11-15-4-5-17-16(9-15)8-14(3)23-17/h4-5,8-9,13,18,23H,6-7,10-12H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyJJDPZTUTXPPCQI-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.94
Rot. Bonds6

About N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide

N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 45169917) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID45169917
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCc1cc2cc(CNC(=O)CC3C(=O)NCCN3CC(C)C)ccc2[nH]1
InChIInChI=1S/C20H28N4O2/c1-13(2)12-24-7-6-21-20(26)18(24)10-19(25)22-11-15-4-5-17-16(9-15)8-14(3)23-17/h4-5,8-9,13,18,23H,6-7,10-12H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyJJDPZTUTXPPCQI-UHFFFAOYSA-N
XLogP1.94
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95716450
N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95723548
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 56901393
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 26395842
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 45179991
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
N-[(4-chlorophenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45187128
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (CID 45169917) is N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is Cc1cc2cc(CNC(=O)CC3C(=O)NCCN3CC(C)C)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is JJDPZTUTXPPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13(2)12-24-7-6-21-20(26)18(24)10-19(25)22-11-15-4-5-17-16(9-15)8-14(3)23-17/h4-5,8-9,13,18,23H,6-7,10-12H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45169917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).