N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide

C21H27N3O2 — CID 95728099

IUPACN,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12
InChIInChI=1S/C21H27N3O2/c1-3-23(4-2)20(25)14-19-21(26)22-12-13-24(19)15-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,19H,3-4,12-15H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyPSKJYBPNKJHMLE-IBGZPJMESA-N
MW353.47 g/mol
LogP2.40
Rot. Bonds6

About N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide

N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 95728099) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID95728099
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12
InChIInChI=1S/C21H27N3O2/c1-3-23(4-2)20(25)14-19-21(26)22-12-13-24(19)15-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,19H,3-4,12-15H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyPSKJYBPNKJHMLE-IBGZPJMESA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95714705
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45190242
N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45208008
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one
CID 25386274
methyl 4-[[[2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]methyl]benzoate
CID 25461128
2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 45222826

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 95728099) is N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide is CCN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is PSKJYBPNKJHMLE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-23(4-2)20(25)14-19-21(26)22-12-13-24(19)15-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,19H,3-4,12-15H2,1-2H3,(H,22,26)/t19-/m0/s1.
What are the key properties of N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95728099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).