2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide

C19H33N3O — CID 3229539

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H33N3O/c1-4-11-22(12-5-2)19(23)17(3)20-13-15-21(16-14-20)18-9-7-6-8-10-18/h4-5,17-18H,1-2,6-16H2,3H3
InChIKeyNZEDRVNYWBESOQ-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide

2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide (PubChem CID 3229539) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide
PubChem CID3229539
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H33N3O/c1-4-11-22(12-5-2)19(23)17(3)20-13-15-21(16-14-20)18-9-7-6-8-10-18/h4-5,17-18H,1-2,6-16H2,3H3
InChIKeyNZEDRVNYWBESOQ-UHFFFAOYSA-N
XLogP2.53
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
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 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide (CID 3229539) is 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)C(C)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is NZEDRVNYWBESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-4-11-22(12-5-2)19(23)17(3)20-13-15-21(16-14-20)18-9-7-6-8-10-18/h4-5,17-18H,1-2,6-16H2,3H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide?
2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 319.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 3229539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).