2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide

C16H20N4O2 — CID 77092889

IUPAC2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1Cc1cccc2cc[nH]c12
InChIInChI=1S/C16H20N4O2/c1-17-14(21)9-13-16(22)19-7-8-20(13)10-12-4-2-3-11-5-6-18-15(11)12/h2-6,13,18H,7-10H2,1H3,(H,17,21)(H,19,22)
InChIKeyJOUYSDKMWAZCIO-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.60
Rot. Bonds4

About 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide

2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 77092889) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID77092889
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1C(=O)NCCN1Cc1cccc2cc[nH]c12
InChIInChI=1S/C16H20N4O2/c1-17-14(21)9-13-16(22)19-7-8-20(13)10-12-4-2-3-11-5-6-18-15(11)12/h2-6,13,18H,7-10H2,1H3,(H,17,21)(H,19,22)
InChIKeyJOUYSDKMWAZCIO-UHFFFAOYSA-N
XLogP0.60
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 125155492
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95724218
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 952252
N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95120552
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638
N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24792111

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide (CID 77092889) is 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)CC1C(=O)NCCN1Cc1cccc2cc[nH]c12.
What is the InChIKey of 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is JOUYSDKMWAZCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-17-14(21)9-13-16(22)19-7-8-20(13)10-12-4-2-3-11-5-6-18-15(11)12/h2-6,13,18H,7-10H2,1H3,(H,17,21)(H,19,22).
What are the key properties of 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 300.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 77092889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).