N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide

C17H31N3O — CID 50952200

IUPACN-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide
SMILESC=CCN1CCN(CCC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-2-10-19-12-14-20(15-13-19)11-9-17(21)18-16-7-5-3-4-6-8-16/h2,16H,1,3-15H2,(H,18,21)
InChIKeyQLHYZMSVVSUWAD-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.02
Rot. Bonds6

About N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide

N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide (PubChem CID 50952200) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide
PubChem CID50952200
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide
SMILESC=CCN1CCN(CCC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-2-10-19-12-14-20(15-13-19)11-9-17(21)18-16-7-5-3-4-6-8-16/h2,16H,1,3-15H2,(H,18,21)
InChIKeyQLHYZMSVVSUWAD-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide (CID 50952200) is N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide is C=CCN1CCN(CCC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide?
The InChIKey is QLHYZMSVVSUWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-10-19-12-14-20(15-13-19)11-9-17(21)18-16-7-5-3-4-6-8-16/h2,16H,1,3-15H2,(H,18,21).
What are the key properties of N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide?
N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide has a molecular weight of 293.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(4-prop-2-enylpiperazin-1-yl)propanamide is sourced from PubChem (CID 50952200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).