N-phenyl-4-prop-2-enylpiperazine-1-carboxamide

C14H19N3O — CID 23822231

IUPACN-phenyl-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H19N3O/c1-2-8-16-9-11-17(12-10-16)14(18)15-13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H,15,18)
InChIKeyFRUYYVDMKPAEQS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.02
Rot. Bonds3

About N-phenyl-4-prop-2-enylpiperazine-1-carboxamide

N-phenyl-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 23822231) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-phenyl-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID23822231
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-phenyl-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H19N3O/c1-2-8-16-9-11-17(12-10-16)14(18)15-13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H,15,18)
InChIKeyFRUYYVDMKPAEQS-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propylpiperazine-1-carboxamide
CID 17383007
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 24522323
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-prop-2-enylpiperazine-1-carboxamide (CID 23822231) is N-phenyl-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is FRUYYVDMKPAEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-8-16-9-11-17(12-10-16)14(18)15-13-6-4-3-5-7-13/h2-7H,1,8-12H2,(H,15,18).
What are the key properties of N-phenyl-4-prop-2-enylpiperazine-1-carboxamide?
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 23822231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).