N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C24H26N4O2 — CID 45190242

IUPACN-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CC1C(=O)NCCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H26N4O2/c1-27(16-18-6-5-11-25-15-18)23(29)14-22-24(30)26-12-13-28(22)17-20-9-4-8-19-7-2-3-10-21(19)20/h2-11,15,22H,12-14,16-17H2,1H3,(H,26,30)
InChIKeyJQLBARXTKRYLBP-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide

N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 45190242) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID45190242
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CC1C(=O)NCCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H26N4O2/c1-27(16-18-6-5-11-25-15-18)23(29)14-22-24(30)26-12-13-28(22)17-20-9-4-8-19-7-2-3-10-21(19)20/h2-11,15,22H,12-14,16-17H2,1H3,(H,26,30)
InChIKeyJQLBARXTKRYLBP-UHFFFAOYSA-N
XLogP2.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
2-[(2S)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 42521563
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
CID 56909896
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(quinolin-5-ylmethyl)acetamide
CID 45173311
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 45172728
2-(1-benzyl-3-oxopiperazin-2-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 50953336
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 42515124
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 42514577

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 45190242) is N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)CC1C(=O)NCCN1Cc1cccc2ccccc12.
What is the InChIKey of N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JQLBARXTKRYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27(16-18-6-5-11-25-15-18)23(29)14-22-24(30)26-12-13-28(22)17-20-9-4-8-19-7-2-3-10-21(19)20/h2-11,15,22H,12-14,16-17H2,1H3,(H,26,30).
What are the key properties of N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 45190242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).