N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide

C20H23N3O3 — CID 8709816

IUPACN-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCOc1ccc([C@H](NC(=O)CN2CCNC(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-17-9-7-16(8-10-17)20(15-5-3-2-4-6-15)22-19(25)14-23-12-11-21-18(24)13-23/h2-10,20H,11-14H2,1H3,(H,21,24)(H,22,25)/t20-/m1/s1
InChIKeyJPSIKIWWFWUGHP-HXUWFJFHSA-N
MW353.42 g/mol
LogP1.33
Rot. Bonds6

About N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8709816) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8709816
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCOc1ccc([C@H](NC(=O)CN2CCNC(=O)C2)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-17-9-7-16(8-10-17)20(15-5-3-2-4-6-15)22-19(25)14-23-12-11-21-18(24)13-23/h2-10,20H,11-14H2,1H3,(H,21,24)(H,22,25)/t20-/m1/s1
InChIKeyJPSIKIWWFWUGHP-HXUWFJFHSA-N
XLogP1.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18166415
ethyl 1-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8718915
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
N-[(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 97133649
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 11929207
N-benzhydryl-2-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69445488
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8528506
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 40792493
N-[bis(4-methoxyphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 55387522

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 8709816) is N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide is COc1ccc([C@H](NC(=O)CN2CCNC(=O)C2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is JPSIKIWWFWUGHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-17-9-7-16(8-10-17)20(15-5-3-2-4-6-15)22-19(25)14-23-12-11-21-18(24)13-23/h2-10,20H,11-14H2,1H3,(H,21,24)(H,22,25)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8709816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).