N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide

C16H23N3O3 — CID 77230279

IUPACN-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-4-7-18-8-10-19(11-9-18)16(20)17-13-5-6-14(21-2)15(12-13)22-3/h4-6,12H,1,7-11H2,2-3H3,(H,17,20)
InChIKeyFRRQBNNXQHXMNA-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.04
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 77230279) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID77230279
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-4-7-18-8-10-19(11-9-18)16(20)17-13-5-6-14(21-2)15(12-13)22-3/h4-6,12H,1,7-11H2,2-3H3,(H,17,20)
InChIKeyFRRQBNNXQHXMNA-UHFFFAOYSA-N
XLogP2.04
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17377810
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 108866282
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(2-fluoro-4-methoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 72872160
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3,4-dimethoxyphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561347
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide (CID 77230279) is N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is FRRQBNNXQHXMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-7-18-8-10-19(11-9-18)16(20)17-13-5-6-14(21-2)15(12-13)22-3/h4-6,12H,1,7-11H2,2-3H3,(H,17,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 77230279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).