N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide

C16H23N3O — CID 113103532

IUPACN-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-3-9-18-10-12-19(13-11-18)16(20)17-14(2)15-7-5-4-6-8-15/h3-8,14H,1,9-13H2,2H3,(H,17,20)
InChIKeyVBFRKYYWYABWDD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.26
Rot. Bonds4

About N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide

N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 113103532) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID113103532
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-3-9-18-10-12-19(13-11-18)16(20)17-14(2)15-7-5-4-6-8-15/h3-8,14H,1,9-13H2,2H3,(H,17,20)
InChIKeyVBFRKYYWYABWDD-UHFFFAOYSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.26
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

4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide
CID 126432931
3-amino-2-methyl-3-phenyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 80549933
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 61174513
4-(1,3-benzodioxol-5-ylmethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988779
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide (CID 113103532) is N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is VBFRKYYWYABWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-9-18-10-12-19(13-11-18)16(20)17-14(2)15-7-5-4-6-8-15/h3-8,14H,1,9-13H2,2H3,(H,17,20).
What are the key properties of N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide?
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 113103532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).