N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C22H29N3O3 — CID 95132204

IUPACN-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCOc1ccc2ccccc2c1CCNC(=O)C[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C22H29N3O3/c1-15(2)25-13-12-24-22(27)19(25)14-21(26)23-11-10-18-17-7-5-4-6-16(17)8-9-20(18)28-3/h4-9,15,19H,10-14H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJOGAOFXVMFMLJU-LJQANCHMSA-N
MW383.49 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95132204) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID95132204
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCOc1ccc2ccccc2c1CCNC(=O)C[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C22H29N3O3/c1-15(2)25-13-12-24-22(27)19(25)14-21(26)23-11-10-18-17-7-5-4-6-16(17)8-9-20(18)28-3/h4-9,15,19H,10-14H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJOGAOFXVMFMLJU-LJQANCHMSA-N
XLogP2.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90651920
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 25381744
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 56898752
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 45216041
N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95716450

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95132204) is N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is COc1ccc2ccccc2c1CCNC(=O)C[C@@H]1C(=O)NCCN1C(C)C.
What is the InChIKey of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is JOGAOFXVMFMLJU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)25-13-12-24-22(27)19(25)14-21(26)23-11-10-18-17-7-5-4-6-16(17)8-9-20(18)28-3/h4-9,15,19H,10-14H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95132204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).