N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

C18H27N3O2 — CID 108911493

IUPACN-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N/C=C/C(C)(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)9-10-19-17(22)21-13-11-20(12-14-21)15-7-5-6-8-16(15)23-4/h5-10H,11-14H2,1-4H3,(H,19,22)/b10-9+
InChIKeyZGYNXXHUMMUDSN-MDZDMXLPSA-N
MW317.43 g/mol
LogP3.09
Rot. Bonds3

About N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 108911493) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID108911493
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N/C=C/C(C)(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)9-10-19-17(22)21-13-11-20(12-14-21)15-7-5-6-8-16(15)23-4/h5-10H,11-14H2,1-4H3,(H,19,22)/b10-9+
InChIKeyZGYNXXHUMMUDSN-MDZDMXLPSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(2-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108905179
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108908901
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide
CID 108957628
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 46784567
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 108911493) is N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)N/C=C/C(C)(C)C)CC1.
What is the InChIKey of N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is ZGYNXXHUMMUDSN-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)9-10-19-17(22)21-13-11-20(12-14-21)15-7-5-6-8-16(15)23-4/h5-10H,11-14H2,1-4H3,(H,19,22)/b10-9+.
What are the key properties of N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108911493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).