N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C19H29N3O3 — CID 95727326

IUPACN,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1
InChIInChI=1S/C19H29N3O3/c1-5-21(6-2)18(23)12-16-19(24)20-9-10-22(16)13-15-7-8-17(25-4)14(3)11-15/h7-8,11,16H,5-6,9-10,12-13H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKeySGIRDKBRUFCMFI-MRXNPFEDSA-N
MW347.46 g/mol
LogP1.56
Rot. Bonds7

About N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 95727326) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID95727326
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1
InChIInChI=1S/C19H29N3O3/c1-5-21(6-2)18(23)12-16-19(24)20-9-10-22(16)13-15-7-8-17(25-4)14(3)11-15/h7-8,11,16H,5-6,9-10,12-13H2,1-4H3,(H,20,24)/t16-/m1/s1
InChIKeySGIRDKBRUFCMFI-MRXNPFEDSA-N
XLogP1.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45215989
3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one
CID 45172603
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45216925
N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
CID 42195762
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42196097
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45169246
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63601447

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 95727326) is N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is CCN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1.
What is the InChIKey of N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is SGIRDKBRUFCMFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-21(6-2)18(23)12-16-19(24)20-9-10-22(16)13-15-7-8-17(25-4)14(3)11-15/h7-8,11,16H,5-6,9-10,12-13H2,1-4H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95727326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).