N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide

C18H27N3O3 — CID 110811014

IUPACN-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)19-17(23)21-10-8-20(9-11-21)16(22)13-14-6-5-7-15(12-14)24-4/h5-7,12H,8-11,13H2,1-4H3,(H,19,23)
InChIKeyOVXQBLYPOZIGGS-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.89
Rot. Bonds3

About N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide

N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110811014) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110811014
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)19-17(23)21-10-8-20(9-11-21)16(22)13-14-6-5-7-15(12-14)24-4/h5-7,12H,8-11,13H2,1-4H3,(H,19,23)
InChIKeyOVXQBLYPOZIGGS-UHFFFAOYSA-N
XLogP1.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
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
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
2-(3-methoxyphenyl)-1-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethanone
CID 48868130
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 47439819
4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 55851491
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide (CID 110811014) is N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide is COc1cccc(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is OVXQBLYPOZIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)19-17(23)21-10-8-20(9-11-21)16(22)13-14-6-5-7-15(12-14)24-4/h5-7,12H,8-11,13H2,1-4H3,(H,19,23).
What are the key properties of N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide?
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110811014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).