N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide

C19H29N3O — CID 145429033

IUPACN-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide
SMILESC=CCC(C)(C)CN(C)C(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C19H29N3O/c1-5-10-19(2,3)15-21(4)18(23)16-8-6-7-9-17(16)22-13-11-20-12-14-22/h5-9,20H,1,10-15H2,2-4H3
InChIKeyQWAGVMKDPIXPHV-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.77
Rot. Bonds6

About N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide

N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide (PubChem CID 145429033) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide
PubChem CID145429033
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide
SMILESC=CCC(C)(C)CN(C)C(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C19H29N3O/c1-5-10-19(2,3)15-21(4)18(23)16-8-6-7-9-17(16)22-13-11-20-12-14-22/h5-9,20H,1,10-15H2,2-4H3
InChIKeyQWAGVMKDPIXPHV-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperazin-1-yl-N-prop-2-enylbenzamide
CID 35752648
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide
CID 28749260
2-piperazin-1-ylbenzoyl bromide
CID 141087423
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
N-pentyl-2-piperazin-1-ylbenzamide
CID 35752714
ethyl 2-[(2-piperazin-1-ylphenyl)carbamoylamino]acetate
CID 59648075
2-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61018145
1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone
CID 176967580
2-methyl-2-piperazin-1-yl-1-(4-piperazin-1-ylphenyl)pent-4-en-1-one
CID 67505224
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide?
The IUPAC name of N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide (CID 145429033) is N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide.
What is the SMILES notation for N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide?
The canonical SMILES for N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide is C=CCC(C)(C)CN(C)C(=O)c1ccccc1N1CCNCC1.
What is the InChIKey of N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide?
The InChIKey is QWAGVMKDPIXPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-5-10-19(2,3)15-21(4)18(23)16-8-6-7-9-17(16)22-13-11-20-12-14-22/h5-9,20H,1,10-15H2,2-4H3.
What are the key properties of N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide?
N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide has a molecular weight of 315.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 145429033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).