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

C20H26N4O2 — CID 95209407

IUPACN-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cnc2ccccc2c1
InChIInChI=1S/C20H26N4O2/c1-14(2)24-9-8-21-20(26)18(24)11-19(25)23(3)13-15-10-16-6-4-5-7-17(16)22-12-15/h4-7,10,12,14,18H,8-9,11,13H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyFDJTXDIXFKDYFR-SFHVURJKSA-N
MW354.45 g/mol
LogP1.79
Rot. Bonds5

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

N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide (PubChem CID 95209407) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
PubChem CID95209407
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cnc2ccccc2c1
InChIInChI=1S/C20H26N4O2/c1-14(2)24-9-8-21-20(26)18(24)11-19(25)23(3)13-15-10-16-6-4-5-7-17(16)22-12-15/h4-7,10,12,14,18H,8-9,11,13H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyFDJTXDIXFKDYFR-SFHVURJKSA-N
XLogP1.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 45173210
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95125941
N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 56905914
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)acetamide
CID 45194166
2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 91794996
2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 124679861
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45190242
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
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
2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 50953336

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide (CID 95209407) is N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide is CC(C)N1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cnc2ccccc2c1.
What is the InChIKey of N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide?
The InChIKey is FDJTXDIXFKDYFR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)24-9-8-21-20(26)18(24)11-19(25)23(3)13-15-10-16-6-4-5-7-17(16)22-12-15/h4-7,10,12,14,18H,8-9,11,13H2,1-3H3,(H,21,26)/t18-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide?
N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(quinolin-3-ylmethyl)acetamide is sourced from PubChem (CID 95209407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).