4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide

C20H26N4O2 — CID 136539634

IUPAC4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide
SMILESC=C(C)C1OCCC1CNC(=O)N1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C20H26N4O2/c1-15(2)19-17(7-12-26-19)14-22-20(25)24-10-8-23(9-11-24)18-6-4-3-5-16(18)13-21/h3-6,17,19H,1,7-12,14H2,2H3,(H,22,25)
InChIKeyKHYQXYIHOFBYTM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.37
Rot. Bonds4

About 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide

4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 136539634) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide
PubChem CID136539634
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide
SMILESC=C(C)C1OCCC1CNC(=O)N1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C20H26N4O2/c1-15(2)19-17(7-12-26-19)14-22-20(25)24-10-8-23(9-11-24)18-6-4-3-5-16(18)13-21/h3-6,17,19H,1,7-12,14H2,2H3,(H,22,25)
InChIKeyKHYQXYIHOFBYTM-UHFFFAOYSA-N
XLogP2.37
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.37
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

1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122013023
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
2-[4-[2-[(2R)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 94115032
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109233
ethyl 2-[4-(oxolan-2-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113105636
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 23821172
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
2-(4-pentanoylpiperazin-1-yl)benzonitrile
CID 113080796
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
CID 3799231

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide (CID 136539634) is 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide is C=C(C)C1OCCC1CNC(=O)N1CCN(c2ccccc2C#N)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is KHYQXYIHOFBYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)19-17(7-12-26-19)14-22-20(25)24-10-8-23(9-11-24)18-6-4-3-5-16(18)13-21/h3-6,17,19H,1,7-12,14H2,2H3,(H,22,25).
What are the key properties of 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide?
4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-[(2-prop-1-en-2-yloxolan-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 136539634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).