4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide

C15H21N3O2 — CID 108910374

IUPAC4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
SMILESC=C(C)NC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H21N3O2/c1-12(2)16-15(19)18-10-8-17(9-11-18)13-6-4-5-7-14(13)20-3/h4-7H,1,8-11H2,2-3H3,(H,16,19)
InChIKeyGDZBBMKVQLRMDD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.06
Rot. Bonds3

About 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide

4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide (PubChem CID 108910374) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
PubChem CID108910374
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
SMILESC=C(C)NC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C15H21N3O2/c1-12(2)16-15(19)18-10-8-17(9-11-18)13-6-4-5-7-14(13)20-3/h4-7H,1,8-11H2,2-3H3,(H,16,19)
InChIKeyGDZBBMKVQLRMDD-UHFFFAOYSA-N
XLogP2.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108911493
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-[2-(dimethylamino)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71941690
[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
N-methyl-4-[2-(trideuteriomethoxy)phenyl]piperazine-1-carboxamide
CID 112758522
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 59020784

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide (CID 108910374) is 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide is C=C(C)NC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide?
The InChIKey is GDZBBMKVQLRMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(2)16-15(19)18-10-8-17(9-11-18)13-6-4-5-7-14(13)20-3/h4-7H,1,8-11H2,2-3H3,(H,16,19).
What are the key properties of 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108910374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).