4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide

C18H27N3O4 — CID 95156327

IUPAC4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C18H27N3O4/c1-14(13-24-2)19-18(23)21-9-7-20(8-10-21)17(22)12-15-5-4-6-16(11-15)25-3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyGYXWHVYDYDYCSZ-CQSZACIVSA-N
MW349.43 g/mol
LogP1.13
Rot. Bonds6

About 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide

4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide (PubChem CID 95156327) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
PubChem CID95156327
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C18H27N3O4/c1-14(13-24-2)19-18(23)21-9-7-20(8-10-21)17(22)12-15-5-4-6-16(11-15)25-3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyGYXWHVYDYDYCSZ-CQSZACIVSA-N
XLogP1.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide
CID 86943270
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51093616
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
2-(3-methoxyphenyl)-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]ethanone
CID 48868003

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide (CID 95156327) is 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide is COC[C@@H](C)NC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
The InChIKey is GYXWHVYDYDYCSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14(13-24-2)19-18(23)21-9-7-20(8-10-21)17(22)12-15-5-4-6-16(11-15)25-3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide?
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95156327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).